产品名称
Benzyl chloride, for synthesis
SMILES string
ClCc1ccccc1
InChI
1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI key
KCXMKQUNVWSEMD-UHFFFAOYSA-N
vapor pressure
1.2 hPa ( 20 °C)
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
Quality Level
Analysis Note
Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.099 - 1.100
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 1.099 - 1.100
Identity (IR): passes test
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).
signalword
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
Respiratory system
存储类别
6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
152.6 °F
flash_point_c
67 °C
法规信息
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