Basic information
- CAS
32368-69-7- Standard SMILES
O=C(OO[N+](=O)[O-])c1ccccc1- InChIKey
ONDCXZPWEKXYJE-UHFFFAOYSA-N- Molecular formula
- C7H5NO5
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 183.01677226
Overview
powerful lacrimator; laboratory generated photochemical smog product
Names & identifiers
- Preferred name
- Benzoyl nitro peroxide
- IUPAC
- nitro benzenecarboperoxoate
- English name
- peroxybenzoyl nitrate
- Molecular formula
- C7H5NO5
- Molecular weight
- 183.12
Names & synonyms
Peroxybenzoyl nitrate32368-69-7DTXSID2074877RefChem:916969BENZOYL NITRO PEROXIDEDTXCID2038497Perbenzoyl nitratenitro benzenecarboperoxoatePeroxybenzyl nitratePeroxide, benzoyl nitroBRN 2647419(Nitroperoxy)(phenyl)methanone
Show more names
SCHEMBL4574631
Database identifiers
- CAS
32368-69-7- PubChem CID
- 36112
- DTXSID
DTXSID2074877- Nikkaji
- J1.069.565A、J867.353E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- -20 °C · <-20 °C
- Boiling point
- 278.7 · 278.7±23.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Peroxybenzoyl nitrate (32368-69-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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