8.01809

Benzyl chloride

for synthesis

• 別名: Benzyl chloride
• 実験式（ヒル表記法）: C₇H₇Cl
• CAS番号: 100-44-7
• 分子量: 126.58
• MDL番号: MFCD00000889
• UNSPSCコード: 12352101
• EC Index Number: 202-853-6
• NACRES: NA.22

特性

• 蒸気圧: 1.2 hPa ( 20 °C)
• 品質水準: 200
• アッセイ: ≥99.0% (GC)
• フォーム: liquid
• 自己発火温度: 585 °C
• 有効性: 440 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 1.1-14 % (v/v)
• bp: 179.3 °C/1013 hPa
• mp: -39 °C
• 転移温度: flash point 67 °C
• 溶解性: 460 mg/L
• 密度: 1.10 g/cm³ at 20 °C
• 保管温度: 2-30°C
• SMILES記法: ClCc1ccccc1
• InChI: 1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
• InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N

詳細

アプリケーション

• 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).

アナリシスノート

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

安全性情報

• ピクトグラム: GHS05,GHS06,GHS08
• シグナルワード: Danger
• 危険有害性情報: H302 - H315 - H317 - H318 - H331 - H335 - H350 - H373
• 注意書き: P280 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313
• 危険有害性の分類: 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
• ターゲットの組織: Respiratory system
• 保管分類コード: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• 引火点(°F): 152.6 °F
• 引火点(℃): 67 °C