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2-CHLOROTHIOANISOLE

2-CHLOROTHIOANISOLE structure

CAS No:
17733-22-1
Formula:
C7H7ClS
Chemical Name:
2-CHLOROTHIOANISOLE
Synonyms:
2-CHLORO THIOANISOLE 99%;(2-chlorophenyl)(methyl)sulfane;1-(Methylthio)-2-chlorobenzene;1-Methylthio-2-chlorobenzene;Methyl (2-chlorophenyl) sulfide;Methyl [2-chlorophenyl] sulfide;Methyl 2-chlorophenyl sulfide;2-Chlorobenzyl thioalcohol
Categories:
Chemical Reagents > Organic Reagents

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2-CHLOROTHIOANISOLE Basic Attributes

Molecular Weight：

158.65

Exact Mass：

157.995697

HScode：

2930909090

Characteristics

PSA：

25.3

XLogP3：

3.1

Density：

1,22 g/cm 3

Boiling Point：

239-240 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.608(lit.)

Safety Information

Hazard category：

STENCH

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant/Stench

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-chlorophenyl methyl sulfide

Computed Properties

Molecular Weight:158.65
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:157.9956991
Monoisotopic Mass:157.9956991
Topological Polar Surface Area:25.3
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes