ChemSpider 2D Image | AL8465000 | C2HCl2N

AL8465000

  • Molecular FormulaC2HCl2N
  • Average mass109.942 Da
  • Monoisotopic mass108.948601 Da
  • ChemSpider ID21106099

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2-dichloroacetonitrile
221-159-4 [EINECS]
3018-12-0 [RN]
Acetonitrile, 2,2-dichloro- [ACD/Index Name]
AL8465000
Dichloracetonitril [German] [ACD/IUPAC Name]
Dichloroacetonitrile [ACD/IUPAC Name]
Dichloroacétonitrile [French] [ACD/IUPAC Name]
MFCD00040886 [MDL number]
"2,2-DICHLOROACETONITRILE"
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

125954_ALDRICH [DBID]
36085_FLUKA [DBID]
442560_SUPELCO [DBID]
BRN 1739029 [DBID]
CCRIS 942 [DBID]
HSDB 6861 [DBID]
NCGC00091123-01 [DBID]
NSC 60511 [DBID]
NSC60511 [DBID]
ZINC04283780 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless liquid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Combustible. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 330 mg kg-1, ORL-MUS LD50 270 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      10-22-34-68-63 Alfa Aesar A10612
      26-36/37/39-45 Alfa Aesar A10612
      8 Alfa Aesar A10612
      Danger Alfa Aesar A10612
      DANGER: CORROSIVE, FLAMMABLE, burns skin and eyes Alfa Aesar A10612
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A10612
      H314-H226-H341-H361d-H302 Alfa Aesar A10612
      P280-P303+P361+P353-P305+P351+P338-P310 Alfa Aesar A10612
      Safety glasses, good ventilation. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography

    • Retention Index (Kovats):

      811 (estimated with error: 89) NIST Spectra mainlib_291331, replib_76066
      668 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.3 m; Column type: Packed; Start T: 100 C; CAS no: 3018120; Active phase: Apiezon L; Carrier gas: N2; Substrate: DCMS-treated Chromosorb W; Data type: Kovats RI; Authors: Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 21, 1968, 1125-1141.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      678 (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: 3018120; 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
      718.8 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.30 mm; Column length: 50 m; Column type: Capillary; Description: 6 min at 35 0C; 35 - 100 0C at 5 deg/min; 100 - 250 0C at 10 deg/min; hold 15 min at 250 0C; CAS no: 3018120; Active phase: 5 % Phenyl methyl siloxane; Carrier gas: He; Phase thickness: 0.17 um; Data type: Normal alkane RI; Authors: Rosenberg, C.; Aalto, T.; Tornaeus, J.; Hesso, A.; Jappinen, P.; Vainio, H., Identification by capillary gas chromatography-mass spectrometry of volatile organohalogen compounds formed during bleaching of kraft pulp, J. Chromatogr., 552, 1991, 265-272.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 112.5±0.0 °C at 760 mmHg
Vapour Pressure: 21.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.1±3.0 kJ/mol
Flash Point: 35.6±0.0 °C
Index of Refraction: 1.448
Molar Refractivity: 20.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 144.54
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.31
ACD/KOC (pH 7.4): 144.54
Polar Surface Area: 24 Å2
Polarizability: 8.3±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 78.1±3.0 cm3

Click to predict properties on the Chemicalize site


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