Ethanone, 1-(4-nitrophenyl)-, oxime
Basic information
- CAS
10342-64-0- Standard SMILES
CC(=NO)c1ccc([N+](=O)[O-])cc1- InChIKey
GFNBZVFYQPTWRK-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- Ethanone, 1-(4-nitrophenyl)-, oxime
- IUPAC
- N-[1-(4-nitrophenyl)ethylidene]hydroxylamine
- English name
- 1-(4-Nitro-phenyl)-ethanone oxime
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
Ethanone, 1-(4-nitrophenyl)-, oxime10342-64-0DTXSID80352271RefChem:341235DTXCID50303336N-[1-(4-nitrophenyl)ethylidene]hydroxylamine1-(4-Nitro-phenyl)-ethanone oximeSCHEMBL9181831AKOS030240109SY2902164'-Nitroacetophenone oximeMethyl(4-nitrophenyl) ketoneoxime
Database identifiers
- CAS
10342-64-0- PubChem CID
- 722086
- DTXSID
DTXSID80352271
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 343.2 · 343.2±25.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.66 · 10.66±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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