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8.01809

Benzyl chloride

for synthesis

Synonym(s):

Benzyl chloride

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About This Item

Empirical Formula (Hill Notation):
C7H7Cl
CAS Number:
100-44-7
Molecular Weight:
126.58
UNSPSC Code:
12352101
EC Index Number:
202-853-6
NACRES:
NA.22
MDL number:
MFCD00000889
Assay:
≥99.0% (GC)
Form:
liquid
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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

SMILES string

ClCc1ccccc1

InChI

1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChI key

KCXMKQUNVWSEMD-UHFFFAOYSA-N

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

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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

Heart,forestomach, Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

flash_point_f

152.6 °F - closed cup

flash_point_c

67 °C - closed cup

Certificates of Analysis (COA)

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