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Home Page Flashcards Dichloromethane CH2Cl2 structure - Flashcards

Dichloromethane CH2Cl2 structure – Flashcards

Flashcard maker : Candace Young

Molecular Formula CH2Cl2
Average mass 84.933 Da
Density 1.3±0.1 g/cm3
Boiling Point 39.6±0.0 °C at 760 mmHg
Flash Point -14.1±22.4 °C
Molar Refractivity 16.4±0.3 cm3
Polarizability 6.5±0.5 10-24cm3
Surface Tension 23.2±3.0 dyne/cm
Molar Volume 67.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      -97 °C SynQuest
      -95 °C Alfa Aesar
      -97 °C Oxford University Chemical Safety Data (No longer updated) More details
      -97 °C Jean-Claude Bradley Open Melting Point Dataset 15714
      -95.1 °C Jean-Claude Bradley Open Melting Point Dataset 21306
      -95 °C Jean-Claude Bradley Open Melting Point Dataset 13219, 6808
      -95 °C Alfa Aesar 41835, L13089, 39116, 42006, 32440, 22917
      -97 °C SynQuest 54905, 1100-5-02
      -97 °C Oakwood 035912, 044694
      250 °C Biosynth J-610006
      1.325 °C LabNetwork LN00162825
      -96.8 °C FooDB FDB008159

    • Experimental Boiling Point:

      39-40 °C Alfa Aesar
      104 F (40 °C)
      NIOSH PA8050000
      40 °C Oxford University Chemical Safety Data (No longer updated) More details
      39-40 °C Alfa Aesar 41835, L13089, 39116, 42006, 32440, 22917
      39-40 °C SynQuest 54905, 1100-5-02
      39.8-40 °C Oakwood 035912, 044694
      449.3 °C Biosynth J-610006
      39.6 °C LabNetwork LN00162825
      40.1 °C FooDB FDB008159

    • Experimental Ionization Potent:

      11.32 Ev NIOSH PA8050000

    • Experimental Vapor Pressure:

      350 mmHg NIOSH PA8050000
      6.83 psi (353.2126 mmHg)
      SynQuest 54905, 1100-5-02

    • Experimental Flash Point:

      230 °C Oakwood 035912, 044694
      39-40 °C LabNetwork LN00162825

    • Experimental Freezing Point:

      -139 F (-95 °C)
      NIOSH PA8050000

    • Experimental Gravity:

      25 g/mL SynQuest 1100-5-02
      1.325 g/mL Alfa Aesar 41835, L13089, 39116, 42006, 32440, 22917
      1.325 g/mL SynQuest 1100-5-02
      1.325 g/mL Oakwood 035912, 044694
      239.7 g/mL Biosynth J-610006

    • Experimental Refraction Index:

      1.4244 Alfa Aesar 42006, 41835, 39116, 32440, 22917, L13089
      1.424 SynQuest 54905, 1100-5-02
      20 FooDB FDB008159

    • Experimental Solubility:

      2% NIOSH PA8050000
  • Predicted Physico-chemical Properties

    • Predicted Melting Point:

      -97 °C J&K Scientific 433893, 947096, 900322, 989118, 995900
  • Miscellaneous

    • Appearance:

      Colorless liquid with a chloroform-like odor. [Note: A gas above 104F.] NIOSH PA8050000
      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 1600 mg kg-1, IPR-MUS LD50 437 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      23-24/25-36/37 Alfa Aesar 22917, 32440, 39116, 41835, 42006, L13089
      40 Alfa Aesar 22917, 32440, 39116, 41835, 42006, L13089
      6.1 Alfa Aesar 22917, 32440, 39116, 41835, 42006, L13089
      Carcinogenic/Harmful SynQuest 1100-5-02, 54905
      DANGER: Cancer risk, causes CNS effects; skin & eye irritant Alfa Aesar 22917, 32440, 39116, 41835, 42006
      DANGER:CONTAINS METHYLENE CHLORIDE-POTENTIAL CANCER HAZARD. Alfa Aesar 22917, 32440, 39116, 41835, 42006
      H351 Alfa Aesar 22917, 32440, 39116, 41835, 42006, L13089
      HARMFUL Alfa Aesar L13089
      P281-P201-P202-P308+P313-P405-P501a Alfa Aesar 22917, 32440, 39116, 41835, 42006, L13089
      R40 SynQuest 1100-5-02, 54905
      S23,S24/25,S26,S36/37/39,S45 SynQuest 1100-5-02
      S23,S24/25,S36/37/39 SynQuest 54905
      Warning Alfa Aesar 22917, 32440, 39116, 41835, 42006, L13089
      Xn Abblis Chemicals AB1007261

    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH PA8050000

    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH PA8050000

    • Symptoms:

      Irritation eyes, skin; lassitude (weakness, exhaustion), drowsiness, dizziness; numbness, tingle limbs; nausea; [potential occupational carcinogen] NIOSH PA8050000

    • Target Organs:

      Eyes, skin, cardiovascular system, central nervous system Cancer Site [in animals: lung, liver, salivary & mammary gland tumors] NIOSH PA8050000

    • Incompatibility:

      Strong oxidizers; caustics; chemically-active metals such as aluminum, magnesium powders, potassium & sodium; concentrated nitric acid NIOSH PA8050000

    • 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 PA8050000

    • Exposure Limits:

      NIOSH REL : Ca See Appendix A OSHA PEL : [1910.1052] TWA 25 ppm ST 125 ppm NIOSH PA8050000
  • Gas Chromatography

    • Retention Index (Kovats):

      542.2 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 60 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      548.4 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 50 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      553.5 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 0 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      553.7 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 40 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      555.9 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 10 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      560.3 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 30 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      562.7 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 20 C; CAS no: 75092; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 81, 2005, 184-190.) NIST Spectra nist ri
      518 (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: 75092; 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., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 75 C; CAS no: 75092; 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
      516.5 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.31 mm; Column length: 25 m; Column type: Capillary; Start T: 75 C; CAS no: 75092; Active phase: OV-1; Carrier gas: He; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 472, 1989, 129-143.) NIST Spectra nist ri
      516.9 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.31 mm; Column length: 25 m; Column type: Capillary; Start T: 60 C; CAS no: 75092; Active phase: OV-1; Carrier gas: He; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 472, 1989, 129-143.) NIST Spectra nist ri
      519 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 75092; 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
      520 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 125 C; CAS no: 75092; 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
      540 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.23 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 75092; Active phase: OV-101; Data type: Kovats RI; Authors: Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 32, 1984, 987-992.) NIST Spectra nist ri
      524 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 75092; 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
      510 (Program type: Complex; Column… (show more) class: Standard non-polar; Column length: 20 ft; Column type: Packed; Description: 150C (10min) => 15C/min =>200C(16min) => 10C/min => 240C; CAS no: 75092; Active phase: SE-30; Carrier gas: He; Substrate: Chromasorb W; Data type: Kovats RI; Authors: Minyard, J.P.; Tumlinson, J.H.; Thompson, A.C.; Hedin, P.A., Constituents of the cotton bud. The carbonyl compounds, J. Agric. Food Chem., 15(3), 1967, 517-524.) NIST Spectra nist ri
      506.3 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 75092; Active phase: C78, Branched paraffin; Carrier gas: He; Data type: Kovats RI; Authors: Dallos, A.; Sisak, A.; Kulcsar, Z.; Kovats, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 904, 2000, 211-242.) NIST Spectra nist ri
      504.9 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 75092; Active phase: C78, Branched paraffin; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 609, 1992, 229-259.) NIST Spectra nist ri
      508 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.7 m; Column type: Packed; Start T: 130 C; CAS no: 75092; Active phase: Apolane; Data type: Kovats RI; Authors: Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 555, 1991, 191-204.) NIST Spectra nist ri
      537.8 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.31 mm; Column length: 25 m; Column type: Capillary; Start T: 60 C; CAS no: 75092; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 472, 1989, 129-143.) NIST Spectra nist ri
      537.9 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.31 mm; Column length: 25 m; Column type: Capillary; Start T: 75 C; CAS no: 75092; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 472, 1989, 129-143.) NIST Spectra nist ri
      531 (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: 75092; 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
      486 (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: 75092; 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
      472 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 200 C; CAS no: 75092; Active phase: Porapack Q; Carrier gas: N2; 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
      497.9 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 70 C; CAS no: 75092; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      509.1 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 130 C; CAS no: 75092; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      477 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 50 C; CAS no: 75092; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Vernon, F., An investigation into hydrogen bonding in gas-liquid chromatography, J. Chromatogr., 63, 1971, 249-257.) NIST Spectra nist ri
      511 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 130 C; CAS no: 75092; Active phase: Apiezon L; Substrate: Celite (40:60 Gewichtsverhaltnis); Data type: Kovats RI; Authors: von Kovats, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 41(7), 1958, 1915-1932.) NIST Spectra

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