Basic information
- CAS
596-48-5- Standard SMILES
O=[N+]([O-])c1ccc(C(O)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
VITHLMCGSJCNMI-UHFFFAOYSA-N- Molecular formula
- C19H13N3O7
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 395.07534976
Names & identifiers
- Preferred name
- Methanol, tris(p-nitrophenyl)-
- IUPAC
- tris(4-nitrophenyl)methanol
- English name
- Methanol, tris (p-nitrophenyl)-
- Molecular formula
- C19H13N3O7
- Molecular weight
- 395.32
Names & synonyms
Methanol, tris(p-nitrophenyl)-Tris(4-nitrotriphenyl)methanol596-48-5tris(4-nitrophenyl)methanoltriphenylcarbinol, 4,4',4''-trinitro-NSC87329tris(p-nitrophenyl)methanolNCIOpen2_0095884,4''-TrinitrotriphenylmethanolDTXSID40208280Benzenemethanol, 4-nitro-.alpha.,.alpha.-bis(4-nitrophenyl)-NSC 87329
Show more names
Methanol, tris (p-nitrophenyl)-Benzenemethanol, 4-nitro-α,α-bis(4-nitrophenyl)-
NSC-87329Benzenemethanol,.alpha.-bis(4-nitrophenyl)-
Database identifiers
- CAS
596-48-5- PubChem CID
- 136389
- DTXSID
DTXSID40208280- Nikkaji
- J136.439A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 519.31 °C · 519.31°C (rough estimate)
- Density
- 1.5215 · 1.5215 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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