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2-Bromobenzyl mercaptan

2-Bromobenzyl mercaptan structure

CAS No:
143888-85-1
Formula:
C7H7BrS
Chemical Name:
2-Bromobenzyl mercaptan
Synonyms:
2-BROMOBENZYLMERCAPTAN;(2-Bromobenzyl);2-Bromobenzyl mercap;(2-broMophenyl)Methanethiol;2-Bromobenzylthiol
Categories:
Organic Chemistry > Nitrile Compound

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2-Bromobenzyl mercaptan Basic Attributes

Molecular Weight：

203.1

Exact Mass：

201.945175

DSSTox ID：

DTXSID00378630

HScode：

29309090

Characteristics

PSA：

XLogP3：

3.51

Density：

1.527 g/mL at 25 °C(lit.)

Boiling Point：

256-257 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.6170(lit.)

Vapor Pressure：

0.0211mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

23-24/25-36/37/38-20/21/22

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (16.67%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, 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
XLogP3:2.7
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:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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