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4-BROMOBENZYL MERCAPTAN

4-BROMOBENZYL MERCAPTAN structure

CAS No:
19552-10-4
Formula:
C7H7BrS
Chemical Name:
4-BROMOBENZYL MERCAPTAN
Synonyms:
(4-Bromophenyl)methanethiol,4-Bromo-α-toluenethiol;4-Bromo-α-toluenethiol;4-Bromobenzyl mercap;4- broMinebenzyl Mercaptan;4-BROMOBENZYL MERCAPTAN;4-Bromobenzylmercaptane;(4-bromophenyl)methanethiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-BROMOBENZYL MERCAPTAN Basic Attributes

Molecular Weight：

203.1

Exact Mass：

201.945175

NSC Number：

114661

DSSTox ID：

DTXSID90297189

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.51

Density：

1.493±0.06 g/cm3(Predicted)

Melting Point：

27-31 °C(lit.)

Boiling Point：

110 °C(Press: 0.5 Torr)

Flash Point：

>230 °F

Refractive Index：

1.617

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2811

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:203.10
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:201.94518
Monoisotopic Mass:201.94518
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-BROMOBENZYL MERCAPTAN

CAS No.: 19552-10-4

Grade: industrial Grade

Content: 98%

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