Basic information
- CAS
7507-93-9- Standard SMILES
O=C1CCCCc2ccc([N+](=O)[O-])cc21- InChIKey
VDNGDQXLGGSHHT-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one
- IUPAC
- 3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
- English name
- 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
7507-93-93-Nitro-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-5-one3-nitro-6,7,8,9-tetrahydro-5h-benzo[a]cyclohepten-5-oneRefChem:2813133-Nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-oneNSC401448SCHEMBL2246184DTXSID80322510VDNGDQXLGGSHHT-UHFFFAOYSA-NHAA50793AKOS016011775
Show more names
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-3-nitro-
NSC 401448NSC-401448EN300-2550083-nitro-6,7,8,9-tetrahydro-benzocyclohepten-5-one3-nitro-6,7,8,9-tetrahydrobenzocyclohepten-5-one3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-one3-nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-oneZ1509470416
Database identifiers
- CAS
7507-93-9- PubChem CID
- 344487
- DTXSID
DTXSID80322510- Nikkaji
- J3.523.507H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 92 · 92.0-92.8 °C(Solv: ethanol (64-17-5))
- Boiling point
- 361.8 · 361.8±31.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
13 records
Compound notes
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