1,1'-Dinitrodicyclopentyl
Basic information
- CAS
65261-04-3- Standard SMILES
O=[N+]([O-])C1(C2([N+](=O)[O-])CCCC2)CCCC1- InChIKey
RQLQCUSIOMTSSH-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.111007
Names & identifiers
- Preferred name
- 1,1'-Dinitrodicyclopentyl
- IUPAC
- 1-nitro-1-(1-nitrocyclopentyl)cyclopentane
Names & synonyms
1,1'-DINITRODICYCLOPENTYL65261-04-3RefChem:409255659-817-11-nitro-1-(1-nitrocyclopentyl)cyclopentaneNSC692600dinitrobicyclo pentane1,1'-dinitro-1,1'-bi(cyclopentyl)CHEMBL2000333DTXSID201352494AKOS0243406241,1'-Bicyclopentyl, 1,1'-dinitro-
Show more names
NSC-692600NCI60_033215ST50557510
Database identifiers
- CAS
65261-04-3- PubChem CID
- 392324
- DTXSID
DTXSID201352494- ChEMBL
CHEMBL2000333- EC Number
- 659-817-1
- Nikkaji
- J356.403G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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