Benzo[b]thiophene-3-acetonitrile

Modify Date: 2024-01-02 21:46:13

Benzo[b]thiophene-3-acetonitrile Structure
Benzo[b]thiophene-3-acetonitrile structure
 Common Name Benzo[b]thiophene-3-acetonitrile
CAS Number 3216-48-6 Molecular Weight 173.23400
Density 1.244g/cm3 Boiling Point 340.1ºC at 760 mmHg
Molecular Formula C10H7NS Melting Point 65-67ºC
MSDS N/A Flash Point 159.5ºC

 Names

Name 2-(1-benzothiophen-3-yl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.244g/cm3
Boiling Point 340.1ºC at 760 mmHg
Melting Point 65-67ºC
Molecular Formula C10H7NS
Molecular Weight 173.23400
Flash Point 159.5ºC
Exact Mass 173.03000
PSA 52.03000
LogP 2.96738
Index of Refraction 1.668
InChIKey DEELHLMCCWZFFE-UHFFFAOYSA-N
SMILES N#CCc1csc2ccccc12

 Safety Information

Risk Phrases R22
Safety Phrases S22-S36/37
RIDADR UN 3276
Packaging Group III
Hazard Class 6.1
HS Code 2934999090

 Synthetic Route

3-(chloromethyl)-1-benzothiophene structure

3-(chloromethyl...

CAS#:3216-47-5

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

~64%

Benzo[b]thiophene-3-acetonitrile Structure

Benzo[b]thiophe...

CAS#:3216-48-6

Literature: MIKANA THERAPEUTICS, INC. Patent: WO2006/88949 A1, 2006 ; Location in patent: Page/Page column 170-172 ;
3-(chloromethyl)-1-benzothiophene structure

3-(chloromethyl...

CAS#:3216-47-5

POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~27%

Benzo[b]thiophene-3-acetonitrile Structure

Benzo[b]thiophe...

CAS#:3216-48-6

Literature: Efange, Simon M. N.; Mash, Deborah C.; Khare, Anil B.; Ouyang, Quinjie Journal of Medicinal Chemistry, 1998 , vol. 41, # 23 p. 4486 - 4491
3-(chloromethyl)-1-benzothiophene structure

3-(chloromethyl...

CAS#:3216-47-5

~%

Benzo[b]thiophene-3-acetonitrile Structure

Benzo[b]thiophe...

CAS#:3216-48-6

Literature: US5424315 A1, ;
Thianaphthene structure

Thianaphthene

CAS#:95-15-8

~%

Benzo[b]thiophene-3-acetonitrile Structure

Benzo[b]thiophe...

CAS#:3216-48-6

Literature: Journal of Medicinal Chemistry, , vol. 41, # 23 p. 4486 - 4491
3-(chloromethyl)-1-benzothiophene structure

3-(chloromethyl...

CAS#:3216-47-5

Benzyl triethylammonium chloride structure

Benzyl triethyl...

CAS#:56-37-1

~28%

Benzo[b]thiophene-3-acetonitrile Structure

Benzo[b]thiophe...

CAS#:3216-48-6

Literature: Regents of the University of Minnesota; University of Miami Patent: US5616575 A1, 1997 ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-cyanomethylbenzothiophene
Benzo[b]thiophene-3-acetonitrile
thiophen
EINECS 221-733-4
3-cyanomethylbenzo<b>thiophene
3-cyanomethylthianaphthene
Thianaphthene-3-acetonirile
MFCD00027389
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Chemsrc provides Benzo[b]thiophene-3-acetonitrile(CAS#:3216-48-6) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Benzo[b]thiophene-3-acetonitrile are included as well.>> amp version: Benzo[b]thiophene-3-acetonitrile

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