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Merck
CN

13280

Benzyl chloride

purum, ≥99.0% (GC)

Synonym(s):

α-Chlorotoluene

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About This Item

Linear Formula:
C6H5CH2Cl
CAS Number:
100-44-7
Molecular Weight:
126.58
EC Number:
202-853-6
UNSPSC Code:
12352100
PubChem Substance ID:
329750125
Beilstein/REAXYS Number:
471308
MDL number:
MFCD00000889

Key Documents

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vapor density

4.36 (vs air)

vapor pressure

10.3 mmHg ( 60 °C), 7 mmHg ( 55 °C)

grade

purum

assay

≥99.0% (GC)

autoignition temp.

1085 °F

expl. lim.

14 %

refractive index

n20/D 1.538 (lit.), n20/D 1.539

bp

177-181 °C (lit.)

mp

−43 °C (lit.)

solubility

0.46 g/L at 30 °C (Decomposes in contact with water)

density

1.1 g/mL at 25 °C (lit.)

SMILES string

ClCc1ccccc1

InChI

1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChI key

KCXMKQUNVWSEMD-UHFFFAOYSA-N

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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 1B - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Oral - STOT SE 3

target_organs

Heart,forestomach, Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

152.6 °F - closed cup

flash_point_c

67 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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P B Nagabalasubramanian et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(1), 150-159 (2010-06-12)
The FT-IR and FT-Raman vibrational spectra of alpha-chlorotoluene have been recorded using Perkin-Elmer 180 spectrometer in the range 3600-10 cm(-1) in the solid phase. A detailed vibrational spectral analysis has been carried out and assignments of the observed fundamental bands
Muriel Amatore et al.
Chemical communications (Cambridge, England), (40)(40), 5019-5021 (2008-10-22)
A new cobalt-catalysed reductive coupling of aryl halides with benzyl chlorides is reported; a variety of diarylmethanes can be prepared in good to excellent yields under mild reaction conditions using CoBr(2) as catalyst and Zn dust; this new cobalt-catalysed coupling
Oxidatively intercepting Heck intermediates: Pd-catalyzed 1,2- and 1,1-arylhalogenation of alkenes.
Dipannita Kalyani et al.
Journal of the American Chemical Society, 130(7), 2150-2151 (2008-01-31)
Mikael P Johansson et al.
Dalton transactions (Cambridge, England : 2003), 40(33), 8419-8428 (2011-07-21)
α-diimine iron complexes have been suggested to catalyse polymerisation via two distinct pathways, depending on the spin state of the iron complex. Here, we study a typical complex of this family, (R'')[N,N]FeCl(2), with [N,N] = Cy-N=CR''-CR''=N-Cy (Cy = cyclohexyl, R''
Andrew Martins et al.
Organic letters, 10(21), 5095-5097 (2008-10-09)
The discovery of a novel arylpalladium(II) reduction enables the synthesis of diarylmethanes via reductive benzylation. Benzyl chlorides were found to be the major source of hydride, acting as an alkylating agent and an aprotic surrogate for benzyl alcohol. This represents
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