5-Nitrobenzothiophene

Modify Date: 2025-08-26 20:00:13

5-Nitrobenzothiophene Structure
5-Nitrobenzothiophene structure
Common Name 5-Nitrobenzothiophene
CAS Number 4965-26-8 Molecular Weight 179.19600
Density 1.435g/cm3 Boiling Point 324.558ºC at 760 mmHg
Molecular Formula C8H5NO2S Melting Point N/A
MSDS N/A Flash Point 150.088ºC

 Names

Name 5-Nitrobenzo[b]thiophene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.435g/cm3
Boiling Point 324.558ºC at 760 mmHg
Molecular Formula C8H5NO2S
Molecular Weight 179.19600
Flash Point 150.088ºC
Exact Mass 179.00400
PSA 74.06000
LogP 3.33270
Index of Refraction 1.714
InChIKey NOVKHIQVXQKSRL-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc2sccc2c1

 Safety Information

Hazard Codes Xi
HS Code 2934999090

 Synthetic Route

~67%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: AMGEN, INC. Patent: WO2006/66172 A1, 2006 ; Location in patent: Page/Page column 27 ; WO 2006/066172 A1

~81%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: Pharmacia and Upjohn Co. Patent: US6387896 B1, 2002 ;

~69%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: Bianchi, Lara; Dell'Erba, Carlo; Maccagno, Massimo; Petrillo, Giovanni; Rizzato, Egon; Sancassan, Fernando; Severi, Elda; Tavani, Cinzia Journal of Organic Chemistry, 2005 , vol. 70, # 22 p. 8734 - 8738

~%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: Matassa; Brown; Bernstein; Shapiro; Maduskuie Jr.; Cronk; Vacek; Yee; Snyder; Krell; Lerman; Maloney Journal of Medicinal Chemistry, 1990 , vol. 33, # 9 p. 2621 - 2629

~%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: Matassa; Brown; Bernstein; Shapiro; Maduskuie Jr.; Cronk; Vacek; Yee; Snyder; Krell; Lerman; Maloney Journal of Medicinal Chemistry, 1990 , vol. 33, # 9 p. 2621 - 2629

~%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: Villar; Encio; Migliaccio; Gil; Martinez-Merino Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 5 p. 963 - 968

~%

5-Nitrobenzothiophene Structure

5-Nitrobenzothi...

CAS#:4965-26-8

Literature: Rabindran et al. Proceedings - Indian Academy of Sciences, Section A, 1952 , # 36 p. 405,408

 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

5-nitro-1-benzothiophene
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