ChemSpider 2D Image | 2-methylbenzyl chloride | C8H9Cl

2-methylbenzyl chloride

  • Molecular FormulaC8H9Cl
  • Average mass140.610 Da
  • Monoisotopic mass140.039276 Da
  • ChemSpider ID21106134

More details:

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

2-methylbenzyl chloride
?-chloro-o-xylene
1-(Chlormethyl)-2-methylbenzol [German] [ACD/IUPAC Name]
1-(Chloromethyl)-2-methylbenzene [ACD/IUPAC Name]
1-(Chlorométhyl)-2-méthylbenzène [French] [ACD/IUPAC Name]
1-Chloromethyl-2-methylbenzene
2-(Chloromethyl)toluene
209-013-8 [EINECS]
2-Methyl benzyl chloride
552-45-4 [RN]
More...

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

C73303_ALDRICH [DBID]
CCRIS 4693 [DBID]
HSDB 2681 [DBID]
PubChem Substance ID 24892956 [DBID]
ST5214004 [DBID]
UNII:EQT3V044TW [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless liquid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Combustible. Incompatible with strongoxidizing agents, bases, alcohols, amines. Corrodes steel. OU Chemical Safety Data (No longer updated) More details

    • Safety:

      22-34 Alfa Aesar A13448
      26-36/37/39-45 Alfa Aesar A13448
      8 Alfa Aesar A13448
      Danger Alfa Aesar A13448
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A13448
      H314-H302 Alfa Aesar A13448
      P280-P305+P351+P338-P309-P310 Alfa Aesar A13448
      Safety glasses, adequate ventilation. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography

    • Retention Index (Kovats):

      1132 (estimated with error: 72) NIST Spectra mainlib_118808, replib_125059, replib_107671

    • Retention Index (Normal Alkane):

      1098 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 240 C; CAS no: 552454; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Interpretation of Gas Chromatographic Retention Indices in estimation of Structures of Isomeric Products of Radical Chlorinating of Alkyl Arenes, Zh. Org. Khim., 37(2), 2001, 283-293, In original 283-293.) NIST Spectra nist ri
      1105 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 552454; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series, Zh. Anal. Khim., 54(12), 1999, 1272-1279, In original 1272-1279.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 201.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 73.9±0.0 °C
Index of Refraction: 1.524
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.73
ACD/KOC (pH 5.5): 897.61
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.73
ACD/KOC (pH 7.4): 897.61
Polar Surface Area: 0 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 133.4±3.0 cm3

Click to predict properties on the Chemicalize site


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