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Benzo[b]thiophene

Benzo[b]thiophene structure

CAS No:
95-15-8
Formula:
C8H6S
Chemical Name:
Benzo[b]thiophene
Synonyms:
Benzo[b]thiophene;Benzothiofuran;1-Thiaindene;Thianaphthene;Thionaphthene;Benzothiophene;2,3-Benzothiophene;Benzothiophen;1-Benzothiophene;Thianaphthen;NSC 47196;11095-43-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

WHITE TO RED CRYSTALLINE LOW MELTING SOLID

1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.

Benzo[b]thiophene Basic Attributes

Molecular Weight：

134.2

Exact Mass：

134.20

BRN：

80580

EC Number：

202-395-7

UNII：

073790YQ2G

NSC Number：

47196

DSSTox ID：

DTXSID2052736

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

3.1

Appearance：

White to pink or yellow Crystalline Solid

Density：

1.4250 g/cm³ @ Temp: 37 °C

Melting Point：

32 °C

Boiling Point：

221 °C

Flash Point：

>230 °F

Refractive Index：

1.675

Water Solubility：

H2O: insoluble

Storage Conditions：

Room temperature.

Vapor Pressure：

0.24 mmHg

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN3077

wgk germany：

hazard class code：

22-36/37/38-20/21/22-51/53

safety instructions：

22-24/25-36-26-61

Marks：

Xn,Xi,N

Hazard note：

Irritant

Precautionary statement(s)：

P264, P270, P273, P301+P312, P330, P391, P501

Hazard Statements：

H302

GHS Classification：

|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.

Toxicity

Mobility：

3.02e+03 L/kg

Drug Information

Biological Half-Life：

25.00 Days

MeSH Entry Terms：

benzo(b)thiophene

Benzo[b]thiophene Use and Manufacturing

Uses

manufacture of pharmaceuticals, thioindigo.

Manufacturing Info：

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

Material

Tetrahydrofuran

Acetylacetone

Sodium hydroxide

Sulfuric acid

Thionyl chloride

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