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3-Bromothiophene

3-Bromothiophene structure

CAS No:
872-31-1
Formula:
C4H3BrS
Chemical Name:
3-Bromothiophene
Synonyms:
Thiophene,3-bromo-;3-Bromothiophene;3-Thienyl bromide;β-Bromothiophene;NSC 96612;3-Bromothiofuran
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear colourless to slightly yellow liquid

3-Bromothiophene Basic Attributes

Molecular Weight：

163.04

Exact Mass：

163.04

BRN：

105338

EC Number：

213-699-4

UNII：

G818Z74YV0

NSC Number：

96612

DSSTox ID：

DTXSID2022129

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

2.6

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.74 g/mL at 25 °C(lit.)

Melting Point：

<25 °C

Boiling Point：

150 °C

Flash Point：

140 °F

Refractive Index：

n20/D 1.591(lit.)

Water Solubility：

IMMISCIBLE

Storage Conditions：

0-6°C

Vapor Pressure：

16.65 mmHg

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1

Transport codes：

UN 2929 6.1/PG 2

wgk germany：

hazard class code：

10-25-41-51/53-36/37/38-23/24/25-20/21/22-43-36/37

safety instructions：

26-36/37/39-45-61-38-28A-16-24/25-23-36-36/37-24/35

Marks：

T,Xi,N,Xn

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (95.29%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 85 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromothiophene Use and Manufacturing

Uses

Sulfonamide antibacterial and anti-inflammatory drugs for the treatment of animal bacterial dysentery and bacterial ulcerative enteritis

Manufacturing Info：

Thiophene, 3-bromo-: ACTIVE

Computed Properties

Molecular Weight:163.04
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Exact Mass:161.91388
Monoisotopic Mass:161.91388
Topological Polar Surface Area:28.2
Heavy Atom Count:6
Complexity:46.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 872-31-1

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CAS No.: 872-31-1

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