ChemSpider 2D Image | ZE4030000 | C8H9Cl

ZE4030000

  • Molecular FormulaC8H9Cl
  • Average mass140.610 Da
  • Monoisotopic mass140.039276 Da
  • ChemSpider ID21111850

More details:






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

p-Methylbenzyl chloride
1-(Chlormethyl)-4-methylbenzol [German] [ACD/IUPAC Name]
1-(Chloromethyl)-4-methylbenzene [ACD/IUPAC Name]
1-(Chlorométhyl)-4-méthylbenzène [French] [ACD/IUPAC Name]
104-82-5 [RN]
203-241-1 [EINECS]
4-Methyl benzyl chloride
4-Methylbenzyl chloride
Benzene, 1-(chloromethyl)-4-methyl- [ACD/Index Name]
p-Xylyl chloride
More...

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

858830J11H [DBID]
MFCD00000919 [DBID]
09447_FLUKA [DBID]
BRN 0507387 [DBID]
C73400_ALDRICH [DBID]
CCRIS 4693 [DBID]
CCRIS 5109 [DBID]
HSDB 2682 [DBID]
NSC 46590 [DBID]
NSC46590 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless Liqiud Novochemy [NC-29782]
    • Safety:

      20/21/22 Novochemy [NC-29782]
      20/21/36/37/39 Novochemy [NC-29782]
      22-34 Alfa Aesar A17183
      26-36/37/39-45 Alfa Aesar A17183
      8 Alfa Aesar A17183
      Corrosive/Harmful/Lachrymatory/Moisture Sensitive/Store under Argon/Keep Cold SynQuest 1700-5-X4, 59267
      Danger Alfa Aesar A17183
      Danger Biosynth W-108807
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A17183
      GHS05; GHS07 Biosynth W-108807
      GHS07; GHS09 Novochemy [NC-29782]
      H302; H314 Biosynth W-108807
      H304; H403 Novochemy [NC-29782]
      H314-H302 Alfa Aesar A17183
      P280; P305+P351+P338; P310 Biosynth W-108807
      P280-P305+P351+P338-P309-P310 Alfa Aesar A17183
      P332+P313; P305+P351+P338 Novochemy [NC-29782]
      R22 Novochemy [NC-29782]
      Warning Novochemy [NC-29782]
  • Gas Chromatography
    • Retention Index (Kovats):

      1132 (estimated with error: 72) NIST Spectra mainlib_3727, replib_107673, replib_231553
      1080 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.5 mm; Column length: 45 m; Column type: Capillary; Start T: 115 C; CAS no: 104825; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Bermejo, J.; Blanco, C.G.; Guillen, M.D., Gas chromatography of deuterated and protiated chloro derivatives of 1,4-dimethylbenzene, J. Chromatogr., 351, 1986, 425-432.) NIST Spectra nist ri
      1136 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Start T: 115 C; CAS no: 104825; Active phase: SE-54; Carrier gas: N2; Data type: Kovats RI; Authors: Bermejo, J.; Blanco, C.G.; Guillen, M.D., Gas chromatography of deuterated and protiated chloro derivatives of 1,4-dimethylbenzene, J. Chromatogr., 351, 1986, 425-432.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1088 (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: 6 K/min; Start T: 60 C; End T: 240 C; CAS no: 104825; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Makarov, A.A., Identification of Alkylarene Chloromethylation Products Using Gas-Chromatographic Retention Indices, Russian Journal of General Chemistry, 77(4), 2007, 611-619, In original 653-662.) NIST Spectra nist ri
      1096 (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: 6 K/min; Start T: 60 C; End T: 240 C; CAS no: 104825; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Makarov, A.A., Identification of Alkylarene Chloromethylation Products Using Gas-Chromatographic Retention Indices, Russian Journal of General Chemistry, 77(4), 2007, 611-619, In original 653-662.) NIST Spectra nist ri
      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: 104825; 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
      1084 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 104825; 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
    • Retention Index (Linear):

      1094 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 104825; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 198.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 75.6±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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