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Home Page Flashcards Succinonitrile C4H4N2 structure - Flashcards

Succinonitrile C4H4N2 structure – Flashcards

Flashcard maker : Viola Marenco

C4H4N2 structure
Molecular Formula C4H4N2
Average mass 80.088 Da
Density 1.0±0.1 g/cm3
Boiling Point 268.5±13.0 °C at 760 mmHg
Flash Point 141.1±13.7 °C
Molar Refractivity 20.4±0.3 cm3
Polarizability 8.1±0.5 10-24cm3
Surface Tension 42.7±3.0 dyne/cm
Molar Volume 81.3±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      52-56 °C Alfa Aesar
      52-57 °C Merck Millipore 3801, 822143
      56 °C Jean-Claude Bradley Open Melting Point Dataset 13184
      54.5 °C Jean-Claude Bradley Open Melting Point Dataset 26806
      54 °C Jean-Claude Bradley Open Melting Point Dataset 8432
      159 °C Biosynth Q-201750
      52-56 °C Alfa Aesar L05037
      50-54 °C (Literature) LabNetwork LN00194097

    • Experimental Boiling Point:

      265-267 °C Alfa Aesar
      509 F (265 °C)
      NIOSH WN3850000
      265-267 °C Alfa Aesar L05037
      265-267 °C (Literature) LabNetwork LN00194097

    • Experimental LogP:

      -0.99 Vitas-M STL146417

    • Experimental Flash Point:

      57 °C TCI S0109
      132 °C Alfa Aesar
      270 F (132.2222 °C)
      NIOSH WN3850000
      132 °C Alfa Aesar
      132 °F (55.5556 °C)
      Alfa Aesar L05037
      230 °C LabNetwork LN00194097

    • Experimental Solubility:

      13% NIOSH WN3850000
  • Miscellaneous

    • Appearance:

      Colorless, odorless, waxy solid. [Note: Forms cyanide in the body.] NIOSH WN3850000

    • Safety:

      20/21/22 Alfa Aesar L05037
      6.1 Alfa Aesar L05037
      9-36/37 Alfa Aesar L05037
      Danger Alfa Aesar L05037
      DANGER: POISON, causes cyanosis; skin, eye, lung irritation Alfa Aesar L05037
      H301-H312-H332 Alfa Aesar L05037
      HARMFUL Alfa Aesar L05037
      P261; P262 Biosynth Q-201750
      P261-P280-P301+P310-P304+P340-P405-P501a Alfa Aesar L05037

    • First-Aid:

      Eye: Irrigate immediately Skin: Water wash immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH WN3850000

    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH WN3850000

    • Symptoms:

      Irritation eyes, skin, respiratory system; headache, dizziness, lassitude (weakness, exhaustion), confusion, convulsions; blurred vision; dyspnea (breathing difficulty); abdominal pain, nausea, vomiti
      ng NIOSH WN3850000

    • Target Organs:

      Eyes, skin, respiratory system, central nervous system, cardiovascular system NIOSH WN3850000

    • Incompatibility:

      Oxidizers NIOSH WN3850000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily Provide: Eyewash NIOSH WN3850000

    • Exposure Limits:

      NIOSH REL : TWA 6 ppm (20 mg/m 3 ) OSHA PEL : none NIOSH WN3850000
  • Gas Chromatography

    • Retention Index (Kovats):

      909 (estimated with error: 83) NIST Spectra mainlib_341643, replib_61318, replib_229071

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 268.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 141.1±13.7 °C
Index of Refraction: 1.416
Molar Refractivity: 20.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.65
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.65
Polar Surface Area: 48 Å2
Polarizability: 8.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 81.3±3.0 cm3

Click to predict properties on the Chemicalize site

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  • 1-Click Scaffold Hop

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