Basic information
- CAS
17024-18-9- Standard SMILES
O=[N+]([O-])c1ccc2c(ccc3ccccc32)c1- InChIKey
PYZVVHPEDWRKME-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 2-Nitrophenanthrene
- IUPAC
- 2-nitrophenanthrene
- English name
- 2-NITROPHENANTHRENE
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
2-NITROPHENANTHRENEPhenanthrene, 2-nitro-CCRIS 3370PKF8VDC4N73-NitrophenathreneBRN 2372743DTXSID701688234-05-00-02304 (Beilstein Handbook Reference)RefChem:88733DTXCID4091314PYZVVHPEDWRKME-UHFFFAOYSA-N17024-18-9
Show more names
NITROPHENANTHRENE2-Nitrophenanthrene in isooctane
2-Nitro-phenanthrene2-Nitro-phenanthrenPhenanthrene,2-nitro-UNII-PKF8VDC4N7CHEMBL354694SCHEMBL1527627SCHEMBL6416195SCHEMBL10574947
Database identifiers
- CAS
17024-18-9- PubChem CID
- 28206
- DTXSID
DTXSID70168823- ChEMBL
CHEMBL354694- UNII
- PKF8VDC4N7
- Nikkaji
- J69.846F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 99 °C · 99°C
- Boiling point
- 364.52 °C · 364.52°C (rough estimate)
- Density
- 1.1814 · 1.1814 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- FDA UNII
- 8 VDC4N7 · PKF8VDC4N7
Chemistry & industry
Suppliers1 total
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
6 records
Compound notes
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