Basic information
- CAS
15834-75-0- Standard SMILES
O=Nc1c(N=O)c(N=O)c(N=O)c(N=O)c1N=O- InChIKey
QJORNKIPCDPSFY-UHFFFAOYSA-N- Molecular formula
- C6N6O6
- Average molar mass
- 252.1 g/mol
- Monoisotopic mass
- 251.98793174
Names & identifiers
- Preferred name
- Hexanitrosobenzene
- IUPAC
- 1,2,3,4,5,6-hexanitrosobenzene
- English name
- hexanitrosobenzene
- Molecular formula
- C6N6O6
- Molecular weight
- 252.1
Names & synonyms
Hexanitrosobenzene15834-75-01,2,3,4,5,6-HexanitrosobenzeneEINECS 239-941-9NSC 88863DTXSID70166405RefChem:787272DTXCID4088896239-941-9Benzene, hexanitroso-NSC88863NSC-88863
Show more names
Hexanitrosobenzol5SJ3MX5GYLSCHEMBL3943483QJORNKIPCDPSFY-UHFFFAOYSA-NAKOS024391000Benzene, 1,2,3,4,5,6-hexanitroso-NS00025146ST51047481
Database identifiers
- CAS
15834-75-0- PubChem CID
- 85134
- DTXSID
DTXSID70166405- UNII
- 5SJ3MX5GYL
- EC Number
- 239-941-9
- Nikkaji
- J219.850I
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Boiling point
- 599.5 · 599.5±50.0 °C(Predicted)
- Density
- 2.23 · 2.23±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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