5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro

Modify Date: 2026-08-03 12:59:47

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure
5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro structure
Common Name 5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro
CAS Number 71089-18-4 Molecular Weight 235.23600
Density 1.262g/cm3 Boiling Point 425.9ºC at 760mmHg
Molecular Formula C12H13NO4 Melting Point N/A
MSDS N/A Flash Point 200.8ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.262g/cm3
Boiling Point 425.9ºC at 760mmHg
Molecular Formula C12H13NO4
Molecular Weight 235.23600
Flash Point 200.8ºC
Exact Mass 235.08400
PSA 72.12000
LogP 3.03570
Index of Refraction 1.568
InChIKey OQEMREQQWHVDSF-UHFFFAOYSA-N
SMILES COc1cc2c(cc1[N+](=O)[O-])C(=O)CCCC2

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~41%

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: BAYLOR UNIVERSITY Patent: US2012/130129 A1, 2012 ; Location in patent: Page/Page column 21 ;

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5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: BAYLOR UNIVERSITY Patent: US2012/130129 A1, 2012 ;

~%

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: BAYLOR UNIVERSITY Patent: US2012/130129 A1, 2012 ;

~%

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: Tanpure, Rajendra P.; George, Clinton S.; Sriram, Madhavi; Strecker, Tracy E.; Tidmore, Justin K.; Hamel, Ernest; Charlton-Sevcik, Amanda K.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. MedChemComm, 2012 , vol. 3, # 6 p. 720 - 724

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5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: Tanpure, Rajendra P.; George, Clinton S.; Sriram, Madhavi; Strecker, Tracy E.; Tidmore, Justin K.; Hamel, Ernest; Charlton-Sevcik, Amanda K.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. MedChemComm, 2012 , vol. 3, # 6 p. 720 - 724

~%

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: BAYLOR UNIVERSITY Patent: US2012/130129 A1, 2012 ;

~%

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-3-nitro Structure

5H-Benzocyclohe...

CAS#:71089-18-4

Learn More
Literature: Tanpure, Rajendra P.; George, Clinton S.; Sriram, Madhavi; Strecker, Tracy E.; Tidmore, Justin K.; Hamel, Ernest; Charlton-Sevcik, Amanda K.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. MedChemComm, 2012 , vol. 3, # 6 p. 720 - 724

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  4

DownStream  0

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: LogP of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 3.03570.
Q: What is the SMILES notation of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: SMILES notation of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is COc1cc2c(cc1[N+](=O)[O-])C(=O)CCCC2.
Q: What are the upstream materials of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: Related upstream materials(CAS) of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one: 6500-65-8;17857-14-6;1226467-43-1;6500-64-7.
Q: What is the Chinese name of 71089-18-4?
A: Chinese name of 71089-18-4 is 71089-18-4.
Q: What is the English name of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: The English name of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
Q: What is the CAS number of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: CAS number of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 71089-18-4.
Q: What is the InChIKey of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: InChIKey of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is OQEMREQQWHVDSF-UHFFFAOYSA-N.
Q: What is the molecular formula of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: Molecular formula of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is C12H13NO4.
Q: What is the polar surface area (PSA) of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: Polar surface area (PSA) of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 72.12000.
Q: What is the molecular weight of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
A: Molecular weight of 2-methoxy-3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is 235.23600.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.
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