4-Methylbenzyl chloride Chemical Properties

Melting point:

4 °C(lit.)

Boiling point:

200 °C(lit.)

Density 

1.062 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.533(lit.)

Flash point:

168 °F

storage temp. 

2-8°C

form 

Low Melting Solid or Liquid

color 

Colorless to white to yellow

Water Solubility 

Insoluble

Sensitive 

Lachrymatory

Merck 

14,10091

BRN 

507387

InChI

1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

InChIKey

DMHZDOTYAVHSEH-UHFFFAOYSA-N

SMILES

Cc1ccc(CCl)cc1

CAS DataBase Reference

104-82-5(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-(chloromethyl)-4-methyl-(104-82-5)

EPA Substance Registry System

Benzene, 1-(chloromethyl)-4-methyl- (104-82-5)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

34-36/37/38-22

Safety Statements 

26-27-36/37/39-45-37/39

RIDADR 

UN 2922 8/PG 3

WGK Germany 

1

RTECS 

ZE4030000

F 

19

Hazard Note 

Harmful/Corrosive/Lachrymatory

TSCA 

TSCA listed

HazardClass 

8

PackingGroup 

III

HS Code 

29036990

Storage Class

8A - Combustible corrosive hazardous materials

Hazard Classifications

Acute Tox. 4 Oral
Skin Corr. 1B

Hazardous Substances Data

104-82-5(Hazardous Substances Data)

MSDS

• Language:English Provider:4-Methylbenzyl chloride
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Methylbenzyl chloride Usage And Synthesis

Chemical Properties

clear colourless to light yellow liquid

Uses

α-Chloro-p-methyltoluene-13C is the labeled analogue of α-Chloro-p-methyltoluene(C369770). α-Chloro-p-methyltoluene is a building block that has been used as a reactant for the preparation of 6-aminoquinolone derivatives as submicromolar hepatitis C virus NS5B inhibitors

Synthesis

The main process for the industrial production of 4-methylbenzyl chloride is currently based on 3-hydroxybenzaldehyde as raw material, and the target product is obtained by methylation with dimethyl sulfate, reduction with potassium borohydride or hydrogenation, and chlorination with alum chloride or concentrated hydrochloric acid.

Purification Methods

Dry the chloride with CaSO4 and fractionally distil it under vacuum. [Beilstein 5 H 384, 5 III 854, 5 IV 966.]

4-Methylbenzyl chloride(104-82-5)Related Product Information

• XYLENE CYANOL FF
• 2-CHLOROTHIOPHENOL
• Diethylstilbestrol
• p-Toluic acid
• Xylene
• Phenethyl alcohol
• Thionyl chloride
• 2-Chlorobenzyl chloride
• Musk xylene
• Choline chloride
• Benzyl chloride
• alpha-Chloro-o-fluorotoluene
• p-Cresol
• Benzyl chloroformate
• 4-Methoxybenzylchloride
• Potassium chloride
• Calcium chloride
• 4-tert-Butylbenzyl chloride