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1-benzothiophene

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Origin: China

Cas No: 95-15-8

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 50 mt/month

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CAS No.: 95-15-8 Formula: C8H6S Molecular Weight: 134.19800

Description

Benzothiophene is an aromatic organic compound with a molecular formula C8H6S and an odor similar to naphthalene (mothballs). It occurs naturally as a constituent of petroleum-related deposits such as lignite tar. Benzothiophene has no household use. It is used primarily in industry and research.
Being a heterocyclic compound, benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP. It is also used in the manufacturing of dyes such as thioindigo.
Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.

Basic Info

Chemical Name	1-benzothiophene
Synonyms	thianaphthalene; Benzo[b]thiophene; Thianapthene; THIONAPHTHENE; Thionaphthen; benzothiophene; Benzothiophen; benzothiofuran; Thianaphtene; Thianaphthene; BZT; Thianaphthen; 1-Thiaindene; BBT;
CAS No.	95-15-8
Molecular Formula	C8H6S
Molecular Weight	134.19800
PSA	28.24000
LogP	2.90130

Properties

Appearance & Physical State	white to red crystalline low melting solid
Density	1.149
Boiling Point	221-222ºC
Melting Point	28-32ºC
Flash Point	62ºC
Refractive Index	1.6374 (37ºC)
Water Solubility	insoluble
Storage Condition	Store in a cool, dry place. Store in a tightly closed container.
Vapor Pressure	0.163mmHg at 25°C

Safety Info

Hazard Class	9
Safety Statements	S22; S24/25; S36; S26
HS Code	2934999090
WGK Germany	3
Packing Group	III
RIDADR	UN3077
Risk Statements	R22
Hazard Codes	Xn
Signal Word	Warning
Symbol	GHS07, GHS09
Hazard Declaration	H302; H411
Caution Statement	P273

Synthesis Route

3-iodo-1-benzothiophene+iodomethane→3-Acetyl benz[b]thiophene+1-Benzothiophene-3-Carboxylic Acid
3-Bromo-1-benzothiophene+Diethyl ether→1-Benzothiophene-3-Carboxylic Acid+1-benzothiophene
3-iodo-1-benzothiophene+→2-(1-benzothiophen-3-yl)cyclohexan-1-one+Cyclohexanol, 1-(3-iodobenzo[b]thien-2-yl)-

Precursor

Thianaphthene-2-carboxylic acid
3-methylsulfanyl-1-benzothiophene
2-(2-bromophenyl)ethynyl-trimethylsilane
benzo[b]thiophen-2-yl-trimethylsilane

Downstream Product

2-(1-benzothiophen-3-yl)acetonitrile
3-iodo-1-benzothiophene
Benzo[b]thiophen-2-amine
2-Iodobenzo[b]thiophene

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