Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI)

Modify Date: 2025-09-18 16:33:36

Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI) Structure
Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI) structure
 Common Name Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI)
CAS Number 612505-78-9 Molecular Weight 204.20500
Density N/A Boiling Point N/A
Molecular Formula C9H4N2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-nitro-1-benzothiophene-3-carbonitrile

 Chemical & Physical Properties

Molecular Formula C9H4N2O2S
Molecular Weight 204.20500
Exact Mass 203.99900
PSA 97.85000
LogP 3.20438
InChIKey TXCYUAKLWWCFEH-UHFFFAOYSA-N
SMILES N#Cc1c([N+](=O)[O-])sc2ccccc12

 Synthetic Route

3-Bromo-2-nitrobenzo[b]thiophene structure

3-Bromo-2-nitro...

CAS#:17402-78-7

Copper cyanide structure

Copper cyanide

CAS#:544-92-3

~92%

Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI) Structure

Benzo[b]thiophe...

CAS#:612505-78-9

Literature: ELI LILLY AND COMPANY Patent: WO2004/14895 A1, 2004 ; Location in patent: Page 104 ; WO 2004/014895 A1
5-Bromo-1-benzothiophene structure

5-Bromo-1-benzo...

CAS#:7342-82-7

~%

Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI) Structure

Benzo[b]thiophe...

CAS#:612505-78-9

Literature: GLAXO GROUP LIMITED; BULLION, Ann, Marie; BUSCH-PETERSEN, Jakob; EVANS, Brian; NEIPP, Christopher, E.; MCCLELAND, Brent, W.; NEVINS, Neysa; WALL, Michael, D. Patent: WO2011/25799 A1, 2011 ; WO 2011/025799 A1
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Related Compounds: More...
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Chemsrc provides CAS#:612505-78-9 MSDS, density, melting point, boiling point, structure, etc. Its name is Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI)>> amp version: Benzo[b]thiophene-3-carbonitrile, 2-nitro- (9CI)

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