Benzyl chloride

• Formula: C₇H₇Cl
• Molecular weight: 126.583
• IUPAC Standard InChI: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 Copy

  
• IUPAC Standard InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N Copy
• CAS Registry Number: 100-44-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Benzene, (chloromethyl)-; Toluene, α-chloro-; α-Chlorotoluene; ω-Chlorotoluene; (Chloromethyl)benzene; Chlorophenylmethane; C6H5CH2Cl; α-Chlortoluol; Benzile (cloruro di); Benzylchlorid; Benzyle (chlorure de); Chlorure de benzyle; NCI-C06360; Rcra waste number P028; UN 1738; Phenylmethyl chloride; NSC 8043; Tolyl chloride
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• Information on this page:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₇H₆Cl^- +  =

By formula: C₇H₆Cl^- + H⁺ = C₇H₇Cl

C₇H₆Cl^- +  =

By formula: C₇H₆Cl^- + H⁺ = C₇H₇Cl

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method, J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105 . [all data]

Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R., Absolute Heats of Formation of Phenylcarbene and Vinylcarbene, J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s . [all data]

Doleib and Iskander, 1967
Doleib, D.M.; Iskander, Y., The influence of the nitro-group upon side-chain reactivity. Part IV. The inhibition of α-proton extraction from 4-nitrobenzyl chloride by the steric effect of methyl groups in the 3- and 5-positions, J. Chem. Soc. B:, 1967, 1154-1158. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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