Basic information
- CAS
2911-48-0- Standard SMILES
CC(C)=NOC(=O)Nc1ccc(Cl)cc1- InChIKey
BPIZNAFVAYSYMY-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O2
- Average molar mass
- 226.66 g/mol
- Monoisotopic mass
- 226.0509053
Names & identifiers
- Preferred name
- O-(N-(4-Chlorophenyl)carbamoyl)acetone oxime
- IUPAC
- (propan-2-ylideneamino) N-(4-chlorophenyl)carbamate
- English name
- O-(N-(4-Chlorophenyl)carbamoyl)acetone oxime
- Molecular formula
- C10H11ClN2O2
- Molecular weight
- 226.66
Names & synonyms
O-(N-(4-CHLOROPHENYL)CARBAMOYL)ACETONE OXIMERefChem:855166666-825-92911-48-0[(4-chlorophenyl)amino][(propan-2-ylideneamino)oxy]methanone(propan-2-ylideneamino) N-(4-chlorophenyl)carbamate2-Propanone,O-[[(4-chlorophenyl)amino]carbonyl]oxime (9CI)(4-Chloroanilino){[(propan-2-ylidene)amino]oxy}methanoneNSC2448CBDivE_002135DTXSID40277471BPIZNAFVAYSYMY-UHFFFAOYSA-N
Show more names
2-Propanone, O-[[(4-chlorophenyl)amino]carbonyl]oxime (9CI)
HMS1607J19NSC-2448AKOS000567136acetone O-{[(4-chlorophenyl)amino]carbonyl}oximeACETONE, O-(4-CHLOROPHENYLCARBAMOYL)OXIMECarbamic acid, N-(4-chlorophenyl)-, 1-methylethenylidenamino ester1-Chloro-4-[(([(1-methylethylidene)amino]oxy)carbonyl)amino]benzene #
Database identifiers
- CAS
2911-48-0- PubChem CID
- 220145
- DTXSID
DTXSID40277471- EC Number
- 666-825-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 117.5 °C · 117.5 °C
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 12.21 · 12.21±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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