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Key Documents

185558

Sigma-Aldrich

Benzyl chloride

ReagentPlus®, 99%, contains ≤1% propylene oxide as stabilizer

동의어(들):

α-Chlorotoluene

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About This Item

Linear Formula:
C6H5CH2Cl
CAS Number:
Molecular Weight:
126.58
Beilstein:
471308
MDL number:
UNSPSC 코드:
12352300
eCl@ss:
39050202
PubChem Substance ID:
NACRES:
NA.22

vapor density

4.36 (vs air)

Quality Level

vapor pressure

10.3 mmHg ( 60 °C)
7 mmHg ( 55 °C)

제품 라인

ReagentPlus®

분석

99%

형태

liquid

autoignition temp.

1085 °F

포함

≤1% propylene oxide as stabilizer

expl. lim.

14 %

refractive index

n20/D 1.538 (lit.)

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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일반 설명

Benzyl chloride (BnCl) is an organochlorine compound, which is widely used in organic synthesis for the preparation of useful chemical building blocks.

애플리케이션

Benzyl chloride can be used as:
  • A benzylating agent for the benzylation of benzene and other aromatic compounds.
  • A reactant for the preparation of 4-methoxydiphenylmethane by Friedel-Crafts alkylation with anisole.

It can also be used to introduce the benzyl protecting group to alcohols and carboxylic acids by forming corresponding benzyl ether, and benzyl ester, respectively.

법적 정보

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

픽토그램

Skull and crossbonesHealth hazardCorrosion

신호어

Danger

Hazard Classifications

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

표적 기관

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

개인 보호 장비

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


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이미 열람한 고객

Benzylation of benzene and other aromatics by benzyl chloride over mesoporous AlSBA-15 catalysts.
Vinu A.,e et al.
Microporous and Mesoporous Materials : The Official Journal of the International Zeolite Association, 80(1-3), 195-203 (2005)
Benzylation of benzene by benzyl chloride over iron mesoporous molecular sieves materials
Bachari K, et al.
J. Catal., 221(1), 55-61 (2004)
Benzylation of toluene by benzyl chloride over protonic zeolites.
Coq B, et al.
Applied Catalysis A: General, 100(1), 69-75 (1993)
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
An Wang et al.
Journal of the American Chemical Society, 132(28), 9534-9536 (2010-06-26)
Aiming to deeply understand the electrocatalytic mechanism of silver on reduction of benzyl chloride, we carried out an in situ electrochemical surface-enhanced Raman spectroscopic study to characterize various surface species in different electrode potential regions. A further analysis with DFT

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