1-Acetyl-3-(4-chlorophenyl)-1-ethylurea
Basic information
- CAS
100126-39-4- Standard SMILES
CCN(C(C)=O)C(=O)Nc1ccc(Cl)cc1- InChIKey
RKSBZTLNZPUAQM-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O2
- Average molar mass
- 240.68 g/mol
- Monoisotopic mass
- 240.0665554
Names & identifiers
- Preferred name
- 1-Acetyl-3-(4-chlorophenyl)-1-ethylurea
- IUPAC
- N-[(4-chlorophenyl)carbamoyl]-N-ethylacetamide
- English name
- 3-acetyl-1-(4-chlorophenyl)-3-ethylurea
- Molecular formula
- C11H13ClN2O2
- Molecular weight
- 240.68612
Names & synonyms
1-ACETYL-3-(4-CHLOROPHENYL)-1-ETHYLUREARefChem:428986100126-39-4661-619-5AKOS0243393603-acetyl-1-(4-chlorophenyl)-3-ethylurea
Database identifiers
- CAS
100126-39-4- PubChem CID
- 5204080
- EC Number
- 661-619-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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