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4-Chlorobenzyl mercaptan

4-Chlorobenzyl mercaptan structure

CAS No:
6258-66-8
Formula:
C7H7ClS
Chemical Name:
4-Chlorobenzyl mercaptan
Synonyms:
Benzenemethanethiol,4-chloro-;α-Toluenethiol,p-chloro-;4-Chlorobenzenemethanethiol;4-Chlorobenzyl mercaptan;p-Chlorobenzyl mercaptan;p-Chlorobenzenemethanethiol;(p-Chlorophenyl)methanethiol;4-Chloro-α-toluenethiol;p-Chloro-α-toluenethiol;(4-Chlorophenyl)methanethiol;4-Chlorobenzylthiol;NSC 108735;NSC 203281;p-Chlorobenzylthiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

4-Chlorobenzyl mercaptan Basic Attributes

Molecular Weight：

158.648

Exact Mass：

158.65

EC Number：

228-395-7

NSC Number：

108735

DSSTox ID：

DTXSID00211619

HScode：

29309090

Characteristics

PSA：

38.80000

XLogP3：

3.33

Density：

1.2±0.1 g/cm3

Melting Point：

19.5 °C

Boiling Point：

66-67 °C @ Press: 0.4 Torr

Flash Point：

76.7±0.0 °C

Refractive Index：

1.582

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26-S36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:158.65
XLogP3:2.9
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:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Chlorobenzylmercaptan

CAS No.: 6258-66-8

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