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4-Bromothiophenol

4-Bromothiophenol structure

CAS No:
106-53-6
Formula:
C6H5BrS
Chemical Name:
4-Bromothiophenol
Synonyms:
Benzenethiol,4-bromo-;Benzenethiol,p-bromo-;4-Bromobenzenethiol;4-Bromothiophenol;p-Bromobenzenethiol;p-Bromothiophenol;p-Bromophenyl thiol;4-Bromophenylthiol;NSC 229563;NSC 32018;1-Bromo-4-mercaptobenzene;4-Bromobenzene-1-thiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

WHITE TO BEIGE CRYSTALS OR CRYSTALLINE POWDER

4-Bromothiophenol Basic Attributes

Molecular Weight：

189.07

Exact Mass：

189.07

EC Number：

203-407-3

UNII：

P3WUO03X17

NSC Number：

229563|32018

DSSTox ID：

DTXSID8059340

HScode：

29309070

Characteristics

PSA：

XLogP3：

3.2

Density：

1.526

Melting Point：

73 °C

Boiling Point：

230.5 °C

Flash Point：

239°C

Refractive Index：

1.631

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2923

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi,T,C

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H301 (14.29%): 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 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-bromothiophenol

4-Bromothiophenol Use and Manufacturing

Manufacturing Info：

Benzenethiol, 4-bromo-: ACTIVE

Computed Properties

Molecular Weight:189.07
XLogP3:3.2
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:66.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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