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1-Chloro-4-(methylthio)benzene

1-Chloro-4-(methylthio)benzene structure

CAS No:
123-09-1
Formula:
C7H7ClS
Chemical Name:
1-Chloro-4-(methylthio)benzene
Synonyms:
Benzene,1-chloro-4-(methylthio)-;Sulfide,p-chlorophenyl methyl;1-Chloro-4-(methylthio)benzene;p-Chlorothioanisole;Methyl 4-chlorophenyl sulfide;4-Chlorothioanisole;Methyl p-chlorophenyl sulfide;p-Chlorophenyl methyl sulfide;4-Chlorophenyl methyl sulfide;p-(Methylthio)chlorobenzene;NSC 72090;1-Chloro-4-(methylsulfanyl)benzene;1-Chloro-4-methylsulfanylbenzene;(4-Chlorophenyl)(methyl)sulfane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

1-Chloro-4-(methylthio)benzene Basic Attributes

Molecular Weight：

158.65

Exact Mass：

158.65

EC Number：

204-600-5

UNII：

031E43FWKK

NSC Number：

72090

DSSTox ID：

DTXSID8023973

HScode：

29309090

Characteristics

PSA：

25.30000

XLogP3：

3.73

Appearance：

White crystalline power

Density：

1.22 g/mL at 25 °C(lit.)

Melting Point：

18-19 °C

Boiling Point：

170 °C

Flash Point：

229 °F

Refractive Index：

n 20/D 1.598(lit.)

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2810

wgk germany：

hazard class code：

R22

safety instructions：

23-26-36/37/39-S36/37/39-S26-S23

RTECS Number：

WQ3840000

Marks：

Xn,Xi

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-chlorophenyl methyl sulfide

1-Chloro-4-(methylthio)benzene Use and Manufacturing

Manufacturing Info：

Benzene, 1-chloro-4-(methylthio)-: INACTIVE

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:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 123-09-1

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Guide of 1-Chloro-4-(methylthio)benzene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Chloro-4-(methylthio)benzene

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