Benzyl Chloride CAS#100-44-7
High Chemical Reactivity: The presence of active benzyl groups in its molecular structure gives benzyl chloride strong chemical reactivity, making it a versatile intermediate in organic synthesis.
Effective Solvent for Organic Compounds: Benzyl chloride can dissolve various organic substances, including oils and resins, making it useful as a solvent in certain industrial applications.
Good Compatibility with Organic Solvents: It is miscible with most organic solvents such as ethanol, ether, benzene, and dichloromethane, providing flexibility in formulation and processing.
Distinct Physical Properties: Benzyl chloride is a transparent liquid ranging from colorless to pale yellow with a strong pungent odor, allowing for easy identification and handling in industrial settings.
Benzyl Chloride Overview
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. The presence of active benzyl groups in its molecular structure gives it high chemical reactivity, making it a valuable intermediate in organic synthesis.
Benzyl chloride is insoluble in water but readily miscible with most organic solvents such as ethanol, ether, benzene, and dichloromethane. It can effectively dissolve various organic substances, including oils and resins, and is occasionally used as a solvent in specialized industrial applications.
Benzyl chloride Chemical Properties
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 pointvapour- 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
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 primarily utilized as a pharmaceutical intermediate and as a raw material in the dye, pigment, fragrance, and daily chemical industries. It also finds applications in the plastics and rubber sectors, where it is used to synthesize PVC stabilizers and rubber vulcanization accelerators. Additionally, benzyl chloride is employed in the pesticide industry for the production of insecticides and herbicides, and to a lesser extent, as an organic synthesis solvent and as a raw material for electronic chemicals.
