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4-Methylbenzyl chloride

4-Methylbenzyl chloride structure

CAS No:
104-82-5
Formula:
C8H9Cl
Chemical Name:
4-Methylbenzyl chloride
Synonyms:
Benzene,1-(chloromethyl)-4-methyl-;p-Xylene,α-chloro-;1-(Chloromethyl)-4-methylbenzene;α-Chloro-p-xylene;p-Methylbenzyl chloride;p-Xylyl chloride;p-Xylyl-α-chloride;p-(Chloromethyl)toluene;4-Methylbenzyl chloride;(4-Methylphenyl)methyl chloride;p-Tolylmethyl chloride;4-(Chloromethyl)toluene;1-Methyl-4-chloromethylbenzene;NSC 46590;α-Chloro-p-methyltoluene
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

clear colourless to light yellow liquid

4-Methylbenzyl chloride Basic Attributes

Molecular Weight：

140.61

Exact Mass：

140.61

BRN：

507387

EC Number：

203-241-1

UNII：

858830J11H

NSC Number：

46590

DSSTox ID：

DTXSID2051477

Color/Form：

LIQUID

HScode：

29036990

Characteristics

PSA：

XLogP3：

2.9

Appearance：

Colorless to white to yellow Low Melting Solid or Liquid

Density：

1.0512 g/cm³ @ Temp: 20 °C

Melting Point：

<25 °C

Boiling Point：

200-202 °C

Flash Point：

168 °F

Refractive Index：

n 20/D 1.533(lit.)

Water Solubility：

H2O: Insoluble ;SOL IN ALL PROP IN ETHER

Storage Conditions：

2-8°C

Vapor Pressure：

0.30 mmHg

Odor：

IRRITATING ODOR

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2922 8/PG 3

wgk germany：

hazard class code：

34-36/37/38-22

safety instructions：

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

RTECS Number：

ZE4030000

Marks：

C,Xi

Hazard note：

Harmful/Corrosive/Lachrymatory

Stability/Shelf Life：

FUMING

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

|Danger|H302 (98.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 61 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Drug Information

Human Toxicity Excerpts：

POWERFUL LACRIMATOR.|STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/

MeSH Entry Terms：

4-methylbenzyl chloride

4-Methylbenzyl chloride Use and Manufacturing

Methods of Manufacturing

...SIMILAR TO THAT OF M-ISOMER: NEWMAN, GEORGE, J ORG CHEM 26, 4306 (1961). /M-XYLYL CHLORIDE IS PREPD FROM M-XYLENE & SULFURYL CHLORIDE: VAN ZANTEN, NAUTA, REC TRAV CHIM 79, 1211 (1960)./

Uses

Used for the production of p-methyl benzyl alcohol, p-methyl benzaldehyde, etc.

Manufacturing Info：

Benzene, 1-(chloromethyl)-4-methyl-: ACTIVE

Computed Properties

Molecular Weight:140.61
XLogP3:2.9
Rotatable Bond Count:1
Exact Mass:140.0392780
Monoisotopic Mass:140.0392780
Heavy Atom Count:9
Complexity:72.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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