3-Nitrooxolane
Basic information
- CAS
1506527-16-7- Standard SMILES
O=[N+]([O-])C1CCOC1- InChIKey
PVFMRQLZRAMTQL-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Names & identifiers
- Preferred name
- 3-Nitrooxolane
- IUPAC
- 3-nitrooxolane
Names & synonyms
3-nitrooxolane1506527-16-7RefChem:504498847-602-7SCHEMBL2039540SCHEMBL2043318SCHEMBL10417541SCHEMBL13721376EN300-761515
Database identifiers
- CAS
1506527-16-7- PubChem CID
- 19862192
- EC Number
- 847-602-7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.9
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]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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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