8.01809

Benzyl chloride

for synthesis

• Synonym(s): Benzyl chloride
• Empirical Formula (Hill Notation): C₇H₇Cl
• CAS Number: 100-44-7
• Molecular Weight: 126.58
• MDL number: MFCD00000889
• UNSPSC Code: 12352101
• EC Index Number: 202-853-6
• NACRES: NA.22

Properties

• vapor pressure: 1.2 hPa ( 20 °C)
• Quality Level: 200
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 585 °C
• potency: 440 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 1.1-14 % (v/v)
• bp: 179.3 °C/1013 hPa
• mp: -39 °C
• transition temp: flash point 67 °C
• solubility: 460 mg/L
• density: 1.10 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
• InChI key: KCXMKQUNVWSEMD-UHFFFAOYSA-N

Description

Application

• Research on the Oxidative Chlorination of Toluene to Benzyl Chloride by Chloride Ion: This study explores the preparation of benzyl chloride through oxidative chlorination under LED blue light, achieving a 40% yield (Y Bai, X Cheng, A Zheng, H Shen, 2019).
• Tertiary amines nucleophilicity in quaternization reaction with benzyl chloride: Investigates the kinetics of the quaternization reaction of tertiary amines with benzyl chloride, providing insights into reaction mechanisms and conditions (KS Yutilova, SG Bakhtin, OM Shved, et al., 2015).
• Synthesis and inhibition profiles of N-benzyl-and N-allyl aniline derivatives against carbonic anhydrase and acetylcholinesterase–A molecular docking study: Focuses on the synthesis of N-benzyl derivatives and their biological activity, utilizing benzyl chloride as a key intermediate in the synthesis process (I Mahmudov, Y Demir, Y Sert, Y Abdullayev, et al., 2022).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.099 - 1.100
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS06,GHS08
• signalword: Danger
• hcodes: H302 - H315 - H317 - H318 - H331 - H335 - H350 - H373
• pcodes: 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 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Oral - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 152.6 °F
• flash_point_c: 67 °C