185558

Benzyl chloride

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

• Synonym(s): α-Chlorotoluene
• Linear Formula: C₆H₅CH₂Cl
• CAS Number: 100-44-7
• Molecular Weight: 126.58
• Beilstein: 471308
• MDL number: MFCD00000889
• UNSPSC Code: 12352300
• eCl@ss: 39050202
• PubChem Substance ID: 24851148
• NACRES: NA.22

Properties

• vapor density: 4.36 (vs air)
• Quality Level: 200
• vapor pressure: 10.3 mmHg ( 60 °C); 7 mmHg ( 55 °C)
• product line: ReagentPlus^®
• Assay: 99%
• form: liquid
• autoignition temp.: 1085 °F
• contains: ≤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.)
• 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

Description

General description

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

Application

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.

Legal Information

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

Safety Information

• Pictograms: GHS06,GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H302,H315,H317,H318,H331,H335,H340,H350,H373
• Precautionary Statements: P280 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313
• 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
• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves