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2-Bromothiophenol

2-Bromothiophenol structure

CAS No:
6320-02-1
Formula:
C6H5BrS
Chemical Name:
2-Bromothiophenol
Synonyms:
Benzenethiol,2-bromo-;Benzenethiol,o-bromo-;2-Bromobenzenethiol;o-Bromobenzenethiol;o-Bromothiophenol;2-Bromothiophenol;NSC 32016;2-Bromophenylthiol;2-Bromobenzene-1-thiol
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

2-Bromothiophenol Basic Attributes

Molecular Weight：

189.073

Exact Mass：

189.07

EC Number：

228-665-4

UNII：

CD6P4XJ7FQ

NSC Number：

32016

DSSTox ID：

DTXSID3064229

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

3.45

Appearance：

clear yellow liquid

Density：

1.6±0.1 g/cm3

Melting Point：

220-222 °C @ Solvent: Isopropanol

Boiling Point：

95-96 °C

Flash Point：

95.5±22.6 °C

Refractive Index：

1.631

Storage Conditions：

-20ºC

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN2922

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H301 (13.04%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromothiophenol Use and Manufacturing

Manufacturing Info：

Benzenethiol, 2-bromo-: INACTIVE

Computed Properties

Molecular Weight:189.07
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:187.92953
Monoisotopic Mass:187.92953
Topological Polar Surface Area:1
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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