trichloroethylene C2HCl3 structure – Flashcards
Flashcard maker : Gabriela Compton
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Predicted Melting Point:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):

Molecular Formula | C2HCl3 |
Average mass | 131.388 Da |
Density | 1.5±0.1 g/cm3 |
Boiling Point | 87.2±0.0 °C at 760 mmHg |
Flash Point | 12.1±17.4 °C |
Molar Refractivity | 25.8±0.3 cm3 |
Polarizability | 10.2±0.5 10-24cm3 |
Surface Tension | 31.1±3.0 dyne/cm |
Molar Volume | 89.1±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
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Experimental Melting Point:
-84.8 °C SynQuest -85 °C Alfa Aesar -85 °C Oxford University Chemical Safety Data (No longer updated) More details -84.7 °C Jean-Claude Bradley Open Melting Point Dataset 26469 -85 °C Jean-Claude Bradley Open Melting Point Dataset 14895, 8611 -85 °C Alfa Aesar 19401, 43487, L14474, 41963, 39744, 41894 -84.8 °C SynQuest 56656, 1300-5-03 -84 °C Oakwood
[095063]-84.8 °C Biosynth J-504494 1.46 °C LabNetwork LN00164587 -
Experimental Boiling Point:
87 °C Alfa Aesar 189 F (87.2222 °C)
NIOSH KX455000087 °C Oxford University Chemical Safety Data (No longer updated) More details 87 °C Alfa Aesar 19401, 43487, L14474, 41963, 39744, 41894 86.7 °C SynQuest 56656, 1300-5-03 87 °C Oakwood
[095063]87.2 °C Biosynth J-504494 87 °C LabNetwork LN00164587 -
Experimental Ionization Potent:
9.45 Ev NIOSH KX4550000 -
Experimental Vapor Pressure:
58 mmHg NIOSH KX4550000 61 mmHg SynQuest 61 °C SynQuest 56656 61 mmHg SynQuest 56656, 1300-5-03 -
Experimental Flash Point:
-
Experimental Freezing Point:
-99 F (-72.7778 °C)
NIOSH KX4550000 -
Experimental Gravity:
25 g/mL SynQuest 1300-5-03 1.46 g/mL Alfa Aesar 19401, 43487, L14474, 41963, 39744, 41894 1.463 g/mL SynQuest 1300-5-03 1.4598 g/mL Oakwood
[095063]12.1 g/mL Biosynth J-504494 -
Experimental Refraction Index:
1.476 Alfa Aesar L14474, 43487, 41963, 41894, 39744, 19401 1.476 SynQuest 56656, 1300-5-03 -
Experimental Solubility:
Miscible with ether, alcohol, chloroform Alfa Aesar 19401
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- Predicted Physico-chemical Properties
-
Predicted Melting Point:
-86 °C J&K Scientific 499606
-
- Miscellaneous
-
Appearance:
Colorless liquid (unless dyed blue) with a chloroform-like odor. NIOSH KX4550000 colourless liquid Oxford University Chemical Safety Data (No longer updated) More details -
Stability:
Stable. Incompatible with oxidizing agents, aluminium, magnesium, strong bases, reducing agents. Light-sensitive. Reacts violently with many metals, ozone, potassium nitrate, potassium hydroxide, sodi
um hydroxide. Oxford University Chemical Safety Data (No longer updated) More details -
Toxicity:
ORL-RAT LD50 7193 mg kg-1 , IPR-DOG LD50 1900 mg kg-1 , IVN-MUS LD50 34 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details -
Safety:
45-36/38-52/53-67 Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 53-45-61 Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 6.1 Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 Danger Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 DANGER: POISON, causes CNS effects, irritation Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 H350-H341-H315-H319-H336-H412 Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 P261-P280-P281-P305+P351+P338-P405-P501a Alfa Aesar 19401, 39744, 41894, 41963, 43487, L14474 R36/37/38,R45,R52/53,R67,R68 SynQuest 1300-5-03, 56656 S45,S53,S61 SynQuest 1300-5-03, 56656 Safety glasses, gloves and good ventilation. Oxford University Chemical Safety Data (No longer updated) More details TBC SynQuest 1300-5-03 Toxic SynQuest 1300-5-03, 56656 -
First-Aid:
Eye: Irrigate immediately Skin: Soap wash promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH KX4550000 -
Exposure Routes:
inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH KX4550000 -
Symptoms:
Irritation eyes, skin; headache, visual disturbance, lassitude (weakness, exhaustion), dizziness, tremor, drowsiness, nausea, vomiting; dermatitis; cardiac arrhythmias, paresthesia; liver injury; [pot
ential occupational carcinogen] NIOSH KX4550000 -
Target Organs:
Eyes, skin, respiratory system, heart, liver, kidneys, central nervous system Cancer Site [in animals: liver & kidney cancer] NIOSH KX4550000 -
Incompatibility:
Strong caustics & alkalis; chemically-active metals (such as barium, lithium, sodium, magnesium, titanium & beryllium) NIOSH KX4550000 -
Personal Protection:
Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Eyewash, Quick drench NIOSH KX4550000 -
Exposure Limits:
NIOSH REL : Ca See Appendix A See Appendix C OSHA PEL ?: TWA 100 ppm C 200 ppm 300 ppm (5-minute maximum peak in any 2 hours) NIOSH KX4550000
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- Gas Chromatography
-
Retention Index (Kovats):
734 (estimated with error: 72) NIST Spectra mainlib_341475, replib_2944, replib_229017 690 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 200 C; Start time: 5 min; CAS no: 79016; Active phase: CBP-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003.) NIST Spectra nist ri 694 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.53 mm; Column length: 22.6 m; Column type: Capillary; Start T: 70 C; CAS no: 79016; Active phase: OV-1; Phase thickness: 2.78 um; Data type: Kovats RI; Authors: Annino, R.; Villalobos, R., A strategy for the simplification and solution of complex chromatographic analysis problems utilizing two-dimensional mapping of retention indexes followed by computer modeling of heart cuts from serially coupled columns containing different stationary phases, J. Hi. Res. Chromatogr., 22(10), 1999, 589-593.) NIST Spectra nist ri 691 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.53 mm; Column length: 30 m; Column type: Capillary; Start T: 60 C; CAS no: 79016; Active phase: DB-1; Carrier gas: He; Phase thickness: 5.0 um; Data type: Kovats RI; Authors: Dewulf, J.; Van Langenhove, H.; Everaert, M., Solid-phase microextraction of volatile organic compounds estimation of the sorption equilibrium from the Kovats index, effect of salinity and humic acids and the study of the kinetics by the development of an “agitated/static layer” model, J. Chromatogr. A, 761, 1997, 205-217., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 75 C; CAS no: 79016; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri 688 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 50 C; CAS no: 79016; Active phase: OV-1; Phase thickness: 0.96 um; Data type: Kovats RI; Authors: Villalobos, R., A window diagram for key component analysis in on-line gas chromatography, J. Hi. Res. Chromatogr., 18, 1995, 343-347.) NIST Spectra nist ri 675 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.75 mm; Column length: 60 m; Column type: Capillary; Start T: 60 C; CAS no: 79016; Active phase: SPB-1; Carrier gas: N2; Data type: Kovats RI; Authors: Castello, G.; Vezzani, S.; Gerbino, T., Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates, J. Chromatogr., 585, 1991, 273-280.) NIST Spectra nist ri 696 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 79016; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri 702 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 125 C; CAS no: 79016; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri 710 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 150 C; CAS no: 79016; Active phase: SE-30; Carrier gas: Ar; Substrate: Gas Chrom Q (80-100 mesh); Data type: Kovats RI; Authors: Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelfluchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 33, 1984, 6-9.) NIST Spectra nist ri 698 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 79016; Active phase: SE-30; Substrate: Gaschrom Q; Data type: Kovats RI; Authors: Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 17(3), 1983, 160-165.) NIST Spectra nist ri 693 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 12 K/min; Start T: 0 C; End T: 250 C; Start time: 12 min; CAS no: 79016; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 37(3), 1989, 659-662.) NIST Spectra nist ri 686 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 1.2 m; Column type: Packed; Start T: 80 C; CAS no: 79016; Active phase: Squalane; Carrier gas: N2; Substrate: Chezasorb AW-HMDS; Data type: Kovats RI; Authors: Pacakova, V.; Vojtechova, H.; Coufal, P., Reaction gas chromatography: study of the photodecomposition of halogenated hydrocarbons, Chromatographia, 25(7), 1988, 621-626.) NIST Spectra nist ri 993 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 200 C; Start time: 5 min; CAS no: 79016; Active phase: CBP-20; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003.) NIST Spectra nist ri 1008 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.53 mm; Column length: 31.3 m; Column type: Capillary; Start T: 70 C; CAS no: 79016; Active phase: Carbowax 20M; Phase thickness: 0.54 um; Data type: Kovats RI; Authors: Annino, R.; Villalobos, R., A strategy for the simplification and solution of complex chromatographic analysis problems utilizing two-dimensional mapping of retention indexes followed by computer modeling of heart cuts from serially coupled columns containing different stationary phases, J. Hi. Res. Chromatogr., 22(10), 1999, 589-593.) NIST Spectra nist ri 1019 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Start T: 50 C; CAS no: 79016; Active phase: Carbowax 20M; Carrier gas: He; Phase thickness: 0.54 um; Data type: Kovats RI; Authors: Villalobos, R., A window diagram for key component analysis in on-line gas chromatography, J. Hi. Res. Chromatogr., 18, 1995, 343-347.) NIST Spectra nist ri 1010 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.75 mm; Column length: 60 m; Column type: Capillary; Start T: 60 C; CAS no: 79016; Active phase: Supelcowax-10; Carrier gas: N2; Data type: Kovats RI; Authors: Castello, G.; Vezzani, S.; Gerbino, T., Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates, J. Chromatogr., 585, 1991, 273-280.) NIST Spectra nist ri 1007.14 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 75 C; CAS no: 79016; Active phase: SP-1000; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri 1010.7 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 79016; Active phase: SP-1000; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri 1012.45 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 125 C; CAS no: 79016; Active phase: SP-1000; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri 999 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 75 C; CAS no: 79016; Active phase: Carbowax 20M; Carrier gas: N2; Substrate: Kieselgur (60-100 mesh); Data type: Kovats RI; Authors: Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 235, 1982, 119-127.) NIST Spectra nist ri -
Retention Index (Normal Alkane):
687.4 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 260 C; Start time: 5 min; CAS no: 79016; Active phase: DB-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: J&W Scientific, Solvent Retention Data, 2003.) NIST Spectra nist ri 691 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 79016; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Start T: 60 C; CAS no: 79016; Active phase: DB-1; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 200 C; CAS no: 79016; Active phase: BP-1; Carrier gas: He; Phase thickness: 0.75 um; Data type: Normal alkane RI; Authors: Health Safety Executive, MDHS 96 Volatile organic compounds in air – Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography, in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24.) NIST Spectra nist ri 680 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 200 C; Start time: 10 min; CAS no: 79016; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; Lopez-Tamames, E., Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection, J. Chromatogr. A, 983, 2003, 19-33., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 200 C; Start time: 10 min; CAS no: 79016; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; Lopez-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 51, 2003, 6572-6577.) NIST Spectra nist ri 676.6 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Description: 40C(4min)=>(7C/min)=>190C=>(10C/min)=>250C; CAS no: 79016; Active phase: DB-1; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Lee, J.-H.; Hwang, S.M.; Lee, D.W.; Heo, G.S., Determination of volatile organic compounds (VOCs) using tedlar bag/solid-phase microextraction/gas chromatography/mass spectrometry (SPME/GC/MS) in ambient and workplace air, Bull. Korean Chem. Soc., 23(3), 2002, 488-496.) NIST Spectra nist ri 693 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 79016; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds, Zh. Anal. Khim., 56(9), 2001, 915-924, In original 915-924.) NIST Spectra nist ri 694 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 79016; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds, Zh. Anal. Khim., 56(9), 2001, 915-924, In original 915-924.) NIST Spectra nist ri 688.1 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 35C(4min) =>4C/min =>130C =>25C/min =>200C(5min); CAS no: 79016; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 1.2 um; Data type: Normal alkane RI; Authors: Miermans, C.J.H.; van der Velde, L.E.; Frintrop, P.C.M., Analysis of volatile organic compounds, using the purge and trap injector coupled to a gas chromatograph/ion-trap mass spectrometer: Review of the results in Dutch surface water of the Rhine, Meuse, Northern Delta Area and Westerscheldt, over the period 1992-1997, Chemosphere, 40, 2000, 39-48.) NIST Spectra nist ri 687.7 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column type: Capillary; Heat rate: 4 K/min; Start T: 35 C; End T: 220 C; End time: 2 min; Start time: 10 min; CAS no: 79016; Active phase: RTX-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri 681 (Program type: Complex; Column… (show more) c Haven't found what you were looking for?
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