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2-Chlorobenzyl mercaptan

2-Chlorobenzyl mercaptan structure

CAS No:
39718-00-8
Formula:
C7H7ClS
Chemical Name:
2-Chlorobenzyl mercaptan
Synonyms:
Benzenemethanethiol,2-chloro-;2-Chlorobenzenemethanethiol;(2-Chlorophenyl)methanethiol;o-Chlorobenzyl mercaptan;2-Chlorobenzyl mercaptan;2-Chlorotoluene-α-thiol;(o-Chlorophenyl)methanethiol;o-Chlorobenzylthiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

2-Chlorobenzyl mercaptan Basic Attributes

Molecular Weight：

158.65

Exact Mass：

158.65

BRN：

2042183

EC Number：

254-602-5

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.46

Appearance：

Clear colorless to light yellow Liquid

Density：

1.2±0.1 g/cm3

Boiling Point：

120-121 °C @ Press: 25 Torr

Flash Point：

120-122°C/25mm

Refractive Index：

1.588

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:158.65
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:157.9956991
Monoisotopic Mass:157.9956991
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-CHLOROBENZYL MERCAPTAN

CAS No.: 39718-00-8

Grade: industrial Grade

Content: 98%

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