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V800081

Sigma-Aldrich

Benzyl chloride

AR, ≥99%

Synonym(s):

α-Chlorotoluene

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About This Item

Linear Formula:
C6H5CH2Cl
CAS Number:
100-44-7
Molecular Weight:
126.58
Beilstein:
471308
EC Number:
202-853-6
MDL number:
MFCD00000889
UNSPSC Code:
12352100
PubChem Substance ID:
329829141

grade

AR

vapor density

4.36 (vs air)

vapor pressure

10.3 mmHg ( 60 °C)
7 mmHg ( 55 °C)

product line

Vetec™

Assay

≥99%

autoignition temp.

1085 °F

expl. lim.

14 %

refractive index

n20/D 1.538 (lit.)

bp

177-181 °C (lit.)

mp

−43 °C (lit.)

density

1.1 g/mL at 25 °C (lit.)

functional group

chloro
phenyl

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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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Signal Word

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 Code

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

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Certificates of Analysis (COA)

Lot/Batch Number
MMBB4452

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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
Pengju Ji et al.
The Journal of organic chemistry, 76(5), 1425-1435 (2011-02-26)
The rate constants for the reactions of a variety of nucleophiles reacting with substituted benzyl chlorides in liquid ammonia (LNH(3)) have been determined. To fully interpret the associated linear free-energy relationships, the ionization constants of phenols ions in liquid ammonia
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
Farook Adam et al.
Journal of colloid and interface science, 304(1), 137-143 (2006-09-26)
Silica supported iron catalyst was prepared from rice husk ash (RHA) via the sol-gel technique using an aqueous solution of iron(III) salt in 3.0 M HNO3. The sample was dried at 110 degrees C and labeled as RHA-Fe. A sample
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