Benzo[b]thiophene
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Benzo[b]thiophene
structure -
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CAS No:
95-15-8
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Formula:
C8H6S
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Chemical Name:
Benzo[b]thiophene
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Synonyms:
Benzo[b]thiophene;Benzothiofuran;1-Thiaindene;Thianaphthene;Thionaphthene;Benzothiophene;2,3-Benzothiophene;Benzothiophen;1-Benzothiophene;Thianaphthen;NSC 47196;11095-43-5
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CAS No:
Description
WHITE TO RED CRYSTALLINE LOW MELTING SOLID
1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.
Benzo[b]thiophene Basic Attributes
134.2
134.20
80580
202-395-7
073790YQ2G
47196
DTXSID2052736
29349990
Characteristics
28.2
3.1
White to pink or yellow Crystalline Solid
1.4250 g/cm3 @ Temp: 37 °C
32 °C
221 °C
>230 °F
1.675
H2O: insoluble
Room temperature.
0.24 mmHg
Safety Information
III
9
UN3077
3
22-36/37/38-20/21/22-51/53
22-24/25-36-26-61
Xn,Xi,N
Irritant
P264, P270, P273, P301+P312, P330, P391, P501
H302
|Warning|H302 (98.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 51 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzo[b]thiophene Use and Manufacturing
manufacture of pharmaceuticals, thioindigo.
Benzo[b]thiophene: ACTIVE
Computed Properties
Molecular Weight:134.20
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Exact Mass:134.01902136
Monoisotopic Mass:134.01902136
Topological Polar Surface Area:28.2
Heavy Atom Count:9
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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