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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.)

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

Certificates of Analysis (COA)

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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
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)
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
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''
Alireza Ariafard et al.
Journal of the American Chemical Society, 128(39), 13010-13016 (2006-09-28)
The reaction mechanism of the Pd-catalyzed benzyl/allyl coupling of benzyl chloride with allyltributylstannan, resulting in the dearomatization of the benzyl group, was studied using density functional theory calculations at the B3LYP level. The calculations indicate that the intermediate (eta(3)-benzyl)(eta(1)-allyl)Pd(PH(3)) is
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