Basic information
- CAS
21985-87-5- Standard SMILES
Nc1c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
XJYDCCKHUXCATF-UHFFFAOYSA-N- Molecular formula
- C6H2N6O10
- Average molar mass
- 318.11 g/mol
- Monoisotopic mass
- 317.98324026
Names & identifiers
- Preferred name
- Pentanitroaniline
- IUPAC
- 2,3,4,5,6-pentanitroaniline
- English name
- Pentanitroaniline
- Molecular formula
- C6H2N6O10
- Molecular weight
- 318.11
Names & synonyms
Pentanitroaniline2,3,4,5,6-pentanitroaniline21985-87-5BW38Y827XUPentanitroaniline (dry)UNII-BW38Y827XUPentanitroaniline (dry) [Forbidden]2,3,4,5,6-PentanitrobenzenamineSCHEMBL7861184DTXSID10894078XJYDCCKHUXCATF-UHFFFAOYSA-NBenzenamine, 2,3,4,5,6-pentanitro-
Show more names
Pentanitroaniline【dry】
ANILINE, 2,3,4,5,6-PENTANITRO-Q6138838
Database identifiers
- CAS
21985-87-5- PubChem CID
- 11023554
- DTXSID
DTXSID10894078- UNII
- BW38Y827XU
- Nikkaji
- J60.437B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 457.31 °C · 457.31°C (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- FDA UNII
- 38 Y827XU · BW38Y827XU
Safety & regulation
Hazard information
DOT Hazard Classification
Pentanitroaniline (dry)
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Chemistry & industry
Suppliers1 total
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
Related reactions
3 records
Compound notes
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