1-Phenyl-1,2-propanedione-2-oxime
Basic information
- CAS
119-51-7- Standard SMILES
C/C(=N\O)C(=O)c1ccccc1- InChIKey
YPINLRNGSGGJJT-JXMROGBWSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 1-Phenyl-1,2-propanedione-2-oxime
- IUPAC
- (2E)-2-hydroxyimino-1-phenylpropan-1-one
- English name
- 1,2-Propanedione, 1-phenyl-, 2-oxime, (2E)-
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
1-Phenyl-1,2-propanedione-2-oximeAlpha-isonitropropiophenoneDTXSID5051602RefChem:435486DTXCID6030154119-51-72-(Hydroxyimino)propiophenoneIsonitrosopropiophenone2-(hydroxyimino)-1-phenylpropan-1-one17019-26-02-Isonitrosopropiophenone2-Hydroxyiminopropiophenone
Show more names
1,2-Propanedione, 1-phenyl-, 2-oxime, (2E)-
PROPIOPHENONE, ISONITROSO-(E)-2-(hydroxyimino)-1-phenylpropan-1-one153337-78-1alpha-Isonitrosopropiophenone(2E)-2-hydroxyimino-1-phenylpropan-1-one1-Phenyl-1,2-propanedione 2-oxime1,2-Propanedione, 1-phenyl-, 2-oxime, (E)-.alpha.-Oximinopropiophenone
Database identifiers
- CAS
119-51-7、17019-26-0- PubChem CID
- 9566063
- DTXSID
DTXSID5051602- UNII
- 59GC6L8L6W
- EC Number
- 204-329-2
- Nikkaji
- J1.178.816E、J31.087E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> New Drug
Physicochemical properties
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 2-hydroxyiminopropiophenone (EC: 204-329-2)
1,2-Propanedione, 1-phenyl-, 2-oxime: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1A (66.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Propanedione, 1-phenyl-, 2-oxime: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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