Basic information
- CAS
52696-90-9- Standard SMILES
C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1- InChIKey
VYCAHPBJVVVEBW-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1,1-diallylurea
- IUPAC
- 3-(4-chlorophenyl)-1,1-bis(prop-2-enyl)urea
- English name
- 1-(4-chlorophenyl)-3,3-bis(prop-2-en-1-yl)urea
- Molecular formula
- C13H15ClN2O
- Molecular weight
- 250.724
Names & synonyms
3-(4-CHLOROPHENYL)-1,1-DIALLYLUREARefChem:49284052696-90-9653-435-9SCHEMBL9504490AKOS003579519ST50548563[(4-chlorophenyl)amino]-N,N-diprop-2-enylcarboxamide1-(4-chlorophenyl)-3,3-bis(prop-2-en-1-yl)urea
Database identifiers
- CAS
52696-90-9- PubChem CID
- 5000980
- EC Number
- 653-435-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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