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3-Methylbenzyl chloride

3-Methylbenzyl chloride structure

CAS No:
620-19-9
Formula:
C8H9Cl
Chemical Name:
3-Methylbenzyl chloride
Synonyms:
Benzene,1-(chloromethyl)-3-methyl-;m-Xylene,α-chloro-;1-(Chloromethyl)-3-methylbenzene;m-Xylyl chloride;m-Xylyl-α-chloride;α-Chloro-m-xylene;m-(Chloromethyl)toluene;m-Methylbenzyl chloride;3-Methylbenzyl chloride;3-(Chloromethyl)toluene;3-Methylphenylmethyl chloride;1-Chloromethyl-3-methylbenzene;1-Methyl-3-chloromethylbenzene;NSC 76592
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colorless to slightly yellow liquid

3-Methylbenzyl chloride Basic Attributes

Molecular Weight：

140.61

Exact Mass：

140.61

BRN：

2040357

EC Number：

210-628-9

UNII：

771291VTT8

NSC Number：

76592

DSSTox ID：

DTXSID60211034

HScode：

29036990

Characteristics

PSA：

XLogP3：

2.9

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.072 g/cm³ @ Temp: 20 °C

Melting Point：

48-49 °C

Boiling Point：

195.5 °C

Flash Point：

168 °F

Refractive Index：

1.524

Water Solubility：

H2O: Insoluble

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-36/37-36/37/38

safety instructions：

23-26-27-36/37/39-45-37/39

Marks：

C,Xi

Hazard note：

Irritant/Corrosive

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H335

GHS Classification：

|Danger|H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 72 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Methylbenzyl chloride Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of m-xylene and thionyl chloride.

Uses

Smoky liquid, organic synthesis intermediate, used for the production of p-toluyl alcohol, p-methyl formaldehyde, etc.

Manufacturing Info：

Benzene, 1-(chloromethyl)-3-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

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:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

m-Xylene

Toluene

Thionyl chloride

Downstream Products

m-Xylene

Hydrochloric acid

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