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Benzyl Chloride

Benzyl Chloride

Basic Information

CAS No.: 100-44-7
Molecular Formula: C7H7Cl
Molecular Weight: 126.58

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Product Details

Benzyl chloride, also known as benzyl chloride, is an organic halogenated hydrocarbon that is flammable, toxic and corrosive. It appears as a colorless to pale yellow transparent liquid with a strong pungent odor. Due to the presence of active benzyl groups in its molecular structure, it has high chemical reactivity. It is insoluble in water but miscible with most organic solvents such as ethanol, ether, benzene and dichloromethane. It can dissolve organic substances such as oils and resins, and is also used as a solvent in a few industrial scenarios.


Chemical Properties

PropertyValue

Melting point

-39 °C

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 atm?m3/mol): 3.57 at 20.00 °C (inert gas stripping, Hovorka and Dohnal, 1997)

Exposure limits

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

Dielectric constant

7.0(13℃)

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.

InChIKey

KCXMKQUNVWSEMD-UHFFFAOYSA-N

LogP

2.3 at 20℃ and pH7

Surface tension

39.36mN/m at 298.15K

CAS DataBase Reference

100-44-7(CAS DataBase Reference)

NIST Chemistry Reference

Benzyl chloride(100-44-7)

IARC

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

EPA Substance Registry System

Benzyl chloride (100-44-7)


Safety Information

PropertyValue

Hazard Codes

T,T+

Risk Statements

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

Safety Statements

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

OEL

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

RIDADR

UN 1738 6.1/PG 2

WGK Germany

3

RTECS

XS8925000

F

8-19

Autoignition Temperature

585 °C

TSCA

Yes

HazardClass

6.1

PackingGroup

II

HS Code

29039990

Hazardous Substances Data

100-44-7(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 440 mg/kg

IDLA

10 ppm


Product Usage

Benzyl chloride is a highly reactive organochlorine compound and a fundamental building block in the chemical industry. Its primary application is in the production of plasticizers, particularly butyl benzyl phthalate, used to enhance the flexibility of vinyl resins. In the pharmaceutical industry, it serves as a critical intermediate for synthesizing benzyl alcohol, benzyl cyanide (a precursor to phenobarbital), and various antibiotics. Furthermore, it is extensively used in the fragrance and flavor sector to produce benzyl esters such as benzyl acetate and benzyl benzoate. It also plays a vital role in the manufacturing of quaternary ammonium salts, which are essential components in disinfectants, fabric softeners, and industrial corrosion inhibitors.

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