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Merck
CN

13270

Benzyl chloride

puriss., ≥99.5% (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:
329750121
Beilstein/REAXYS Number:
471308
MDL number:
MFCD00000889

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vapor density

4.36 (vs air)

vapor pressure

10.3 mmHg ( 60 °C), 7 mmHg ( 55 °C)

grade

puriss.

assay

≥99.5% (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

H2O: insoluble, alcohol: miscible, chloroform: miscible, diethyl ether: miscible

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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General description

Benzyl chloride helps in isolation of genomic DNA with least mechanical shearing from plants, fungi and bacteria.

Application

Benzyl chloride was used in development of new decontaminant microemulsions for selective oxidation of mustard gas analogs.It was used as an alkylating agent during the benzylation of benzene and other aromatic compounds.

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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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Benzylation of benzene and other aromatics by benzyl chloride over mesoporous AlSBA-15 catalysts.
Vinu A, et al.
Microporous and Mesoporous Materials : The Official Journal of the International Zeolite Association, 80(1), 195-203 (2005)
New microemulsions for oxidative decontamination of mustard gas analogues and polymer-thickened half-mustard.
Gonzaga F, et al.
New. J. Chem., 25(1), 151-155 (2011)
Isolation of genomic DNAs from plants, fungi and bacteria using benzyl chloride.
H Zhu et al.
Nucleic acids research, 21(22), 5279-5280 (1993-11-11)
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)
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Global Trade Item Number

SKUGTIN
324949-5G04061831810530
324949-1G04061825584553

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