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4-Bromobenzo[b]thiophene

4-Bromobenzo[b]thiophene structure

CAS No:
5118-13-8
Formula:
C8H5BrS
Chemical Name:
4-Bromobenzo[b]thiophene
Synonyms:
Benzo[b]thiophene,4-bromo-;4-Bromobenzo[b]thiophene;4-Bromo-1-benzothiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-Bromobenzo[b]thiophene Basic Attributes

Molecular Weight：

213.0943

Exact Mass：

213.09

EC Number：

1592732-453-0

DSSTox ID：

DTXSID40477434

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

3.6

Density：

1.6±0.1 g/cm3

Boiling Point：

144 °C @ Press: 20 Torr

Flash Point：

126.0±19.8 °C

Refractive Index：

1.704

Safety Information

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromobenzo[b]thiophene Use and Manufacturing

Step 4: (0369) Compound 14-d (14 g, 54.6 mmol) and dimethyl sulfoxide (140 ml) were placed in a 25 mL single neck flask, silver carbonate (15 g, 54.3 mmol) and acetic acid (163 mg) were added thereto under stirring. The mixture was stirred at 120° C. overnight, cooled to room temperature, filtered after ethyl acetate (100 ml) was added. The filtrate was extracted with ethyl acetate (200 ml×3) and water, the organic phase was dried, concentrated, subjected to column chromatography to obtain 14-e as a colorless transparent oil (1 g, yield: 95percent).Step 3 Copper powder (49.8 g) is added to a stirred mixture of

Computed Properties

Molecular Weight:213.10
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Exact Mass:211.92953
Monoisotopic Mass:211.92953
Topological Polar Surface Area:28.2
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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