Tris(3-nitrophenyl)phosphine oxide
Basic information
- CAS
31638-89-8- Standard SMILES
O=[N+]([O-])c1cccc(P(=O)(c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)c1- InChIKey
FWOBSCMZCLNISM-UHFFFAOYSA-N- Molecular formula
- C18H12N3O7P
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 413.04128673
Names & identifiers
- Preferred name
- Tris(3-nitrophenyl)phosphine oxide
- IUPAC
- 1-bis(3-nitrophenyl)phosphoryl-3-nitrobenzene
- English name
- tris(3-nitrophenyl)phosphine oxide
- Molecular formula
- C18H12N3O7P
- Molecular weight
- 413.28
Names & synonyms
Tris(m-nitrophenyl)phosphine oxideTris(3-nitrophenyl)phosphine oxide31638-89-8EINECS 250-745-2UNII-UJU4A3U06OUJU4A3U06ONSC-157377DTXSID0021703NSC 157377Phosphine oxide, tris(3-nitrophenyl)-PHOSPHINE OXIDE, TRIS(M-NITROPHENYL)-RefChem:192099
Show more names
TRIS(META-NITROPHENYL)PHOSPHINEOXIDE
DTXCID7017031-bis(3-nitrophenyl)phosphoryl-3-nitrobenzenetris(3-nitrophenyl)phosphane oxidephosphorane, tris(3-nitrophenyl)-, oxideSCHEMBL8408187SCHEMBL30764114FWOBSCMZCLNISM-UHFFFAOYSA-NTris-(3-nitrophenyl)-phosphinoxid
Database identifiers
- CAS
31638-89-8- PubChem CID
- 98651
- DTXSID
DTXSID0021703- UNII
- UJU4A3U06O
- EC Number
- 250-745-2
- Nikkaji
- J278.162J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- Boiling point
- 648.7 · 648.7±55.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- FDA UNII
- 4 A3U06O · UJU4A3U06O
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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