3,6-Dinitrocarbazole
Basic information
- CAS
3244-54-0- Standard SMILES
O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1- InChIKey
IARXLBTXILYASE-UHFFFAOYSA-N- Molecular formula
- C12H7N3O4
- Average molar mass
- 257.2 g/mol
- Monoisotopic mass
- 257.04365571
Names & identifiers
- Preferred name
- 3,6-Dinitrocarbazole
- IUPAC
- 3,6-dinitro-9H-carbazole
- English name
- 3,6-DINITRO-9H-CARBAZOLE
- Molecular formula
- C12H7N3O4
- Molecular weight
- 257.2
Names & synonyms
3,6-Dinitro-9H-carbazole3244-54-03,6-DinitrocarbazoleL5YYP3DVN9DTXSID80186179RefChem:1066094DTXCID40108670221-814-4MFCD001869849H-Carbazole, 3,6-dinitro-Carbazole, 3,6-dinitro-CCRIS 6772
Show more names
[9H-Carbazole,3,6-dinitro-]
EINECS 221-814-4Maybridge1_002104UNII-L5YYP3DVN9Oprea1_673803SCHEMBL155013SCHEMBL631957orb3217184SCHEMBL29540314
Database identifiers
- CAS
3244-54-0- PubChem CID
- 76730
- DTXSID
DTXSID80186179- UNII
- L5YYP3DVN9
- EC Number
- 221-814-4
- Nikkaji
- J7.696A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 365 · 365-367 °C
- Boiling point
- 537.2 · 537.2±30.0 °C(Predicted)
- Density
- 1.61 · 1.610±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.43 · 13.43±0.30(Predicted)
- Appearance
- Yellow to brown Solid
- FDA UNII
- 5 YYP3DVN9 · L5YYP3DVN9
Chemistry & industry
Upstream & downstream products
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Related reactions
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Compound notes
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