Basic information
- CAS
17024-19-0- Standard SMILES
O=[N+]([O-])c1ccc2ccc3ccccc3c2c1- InChIKey
CPRHWWUDRYJODK-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 3-Nitrophenanthrene
- IUPAC
- 3-nitrophenanthrene
- English name
- 3-Nitrophenanthrene
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
3-Nitrophenanthrene17024-19-0Phenanthrene, 3-nitro-CCRIS 7647NSC 107614DTXSID0075073RefChem:281354DTXCID2035439CPRHWWUDRYJODK-UHFFFAOYSA-NNSC107614SCHEMBL8623371SCHEMBL29450699
Show more names
3-nitro-phenanthren3-Nitrophenanthrene in isooctane3-nitrophenanthrene(100μg/mL in toluene)3-Nitrophenanthrene 10 μg/mL in Cyclohexane1-[3-methyl-4-(1-oxoprop-2-enyl)-1-piperazinyl]-2-propen-1-one
SCHEMBL29903883NSC-107614DB-0438143-Nitrophenanthrene 10 |Ig/mL in Cyclohexane3-Nitrophenanthrene 10 microg/mL in Cyclohexane
Database identifiers
- CAS
17024-19-0- PubChem CID
- 97240
- DTXSID
DTXSID0075073- Nikkaji
- J364.309C
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
- 170 · 170-171 °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)
- Henry's Law Constant
- 5.4 · 5.4×101 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- EPA Substance Registry System
- 3 · Phenanthrene, 3-nitro- (17024-19-0)
Chemistry & industry
Suppliers3 total
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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