Basic information
- CAS
7495-99-0- Standard SMILES
O=[N+]([O-])c1cc2c3ccccc3c([N+](=O)[O-])cc2c2ccccc12- InChIKey
CNXNBAOTRNURPQ-UHFFFAOYSA-N- Molecular formula
- C18H10N2O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.0640568
Names & identifiers
- Preferred name
- 6,12-Dinitrochrysene
- IUPAC
- 6,12-dinitrochrysene
Names & synonyms
6,12-dinitrochryseneDTXSID703247257495-99-0RefChem:305961DTXCID50275842636-152-5NSC407606SCHEMBL6245129AKOS024338437NSC-407606
Database identifiers
- CAS
7495-99-0- PubChem CID
- 348338
- DTXSID
DTXSID70324725- EC Number
- 636-152-5
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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