Basic information
- CAS
24577-68-2- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(CO)c([N+](=O)[O-])c1- InChIKey
IFNVWRBEJGYFNL-UHFFFAOYSA-N- Molecular formula
- C7H5N3O7
- Average molar mass
- 243.13 g/mol
- Monoisotopic mass
- 243.01274951
Names & identifiers
- Preferred name
- 2,4,6-Trinitrobenzenemethanol
- IUPAC
- (2,4,6-trinitrophenyl)methanol
- English name
- 2,4,5-Trinitrobenzyl alcohol
- Molecular formula
- C7H5N3O7
- Molecular weight
- 243.13
Names & synonyms
2,4,6-Trinitrobenzyl alcohol24577-68-2DTXSID501793162,4,6-TRINITROBENZENEMETHANOLRefChem:1059647DTXCID80101807246-327-4(2,4,6-Trinitrophenyl)methanolBenzenemethanol, 2,4,6-trinitro-Benzyl alcohol, 2,4,6-trinitro-EINECS 246-327-42,4,6-Trinitrobenzylalcohol
Show more names
2,4,5-Trinitrobenzyl alcohol
SCHEMBL8744302(2,4,6-Trinitrophenyl)methanol #DB-008780NS00027697
Database identifiers
- CAS
24577-68-2- PubChem CID
- 90544
- DTXSID
DTXSID50179316- EC Number
- 246-327-4
- Nikkaji
- J286.349I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 404.8 · 404.8±40.0 °C(Predicted)
- Density
- 1.751 · 1.751±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.10(Predicted)
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉泰易成生化药业有限公司027-88320699 ;15307126061 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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