Benzyl chloride CAS#100-44-7

Boiling point 

179 °C

density 

1.1 g/mL at 25 °C(lit.)

vapor density 

4.36 (vs air)

vapor pressure 

10.3 mm Hg ( 60 °C)

refractive index 

n20/D 1.538(lit.)

Fp 

165 °F

storage temp. 

Store below +30°C.

solubility 

soluble0.46g/L at 30°C (Decomposes in contact with water)

form 

Liquid

color 

Clear colorless to slightly yellow

Odor

Pungent, irritating.

explosive limit

1.1-14%(V)

Water Solubility 

0.3 g/L (20 ºC)

Merck 

14,1129

BRN 

471308

Henry's Law Constant

(x 10-4 atmm3/mol): 3.57 at 20.00 °C (inert gas stripping, Hovorka and Dohnal, 1997)

Dielectric constant

7.0（13℃）

Exposure limits

TLV-TWA 1 ppm (～5mg/m3) (ACGIH, MSHA, and OSHA); IDLH 10 ppm (NIOSH); carcinogenicity: Animal Limited Evidence, Human Inadequate Evidence (IARC).

Stability:

Unstable - inhibitors such as propylene oxide or trimethylamine are usually added to prevent polymerization. Combustible. Incompatible with strong oxidizing agents, water, acids, most common metals, dimethyl sulfoxide. Above flash point vapour-air mixtures are explosive within the limits noted above. Contact with water produces toxic fumes.

InChI

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

InChIKey

KCXMKQUNVWSEMD-UHFFFAOYSA-N

SMILES

ClCc1ccccc1

LogP

2.3 at 20℃ and pH7

Surface tension

39.36mN/m at 298.15K

CAS DataBase Reference

100-44-7(CAS DataBase Reference)

IARC

2A (Vol. 29, Sup 7, 71) 1999

NIST Chemistry Reference

Benzyl chloride(100-44-7)

EPA Substance Registry System

Benzyl chloride (100-44-7)

Safety Information

Risk Statements 

45-22-23-37/38-41-48/22-43-26-46

Safety Statements 

53-45-36/37/39-28-26-36/37

RIDADR 

UN 1738 6.1/PG 2

OEL

Ceiling: 1 ppm (5 mg/m3) [15-minute]

WGK Germany 

3

RTECS 

XS8925000

F 

8-19

Autoignition Temperature

585 °C

TSCA 

TSCA listed

HazardClass 

6.1

PackingGroup 

II

HS Code 

29039990

Storage Class

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

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

Hazardous Substances Data

100-44-7(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 440 mg/kg

IDLA

10 ppm