Basic information
- CAS
29771-70-8- Standard SMILES
CC(C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1- InChIKey
OVKTVOZVCAFCDU-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2N2O
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 322.0639685
Names & identifiers
- Preferred name
- 1-(3,4-Dichloro-phenyl)-3-(4-isopropyl-phenyl)-urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)urea
Names & synonyms
1-(3,4-DICHLORO-PHENYL)-3-(4-ISOPROPYL-PHENYL)-UREARefChem:422756683-773-229771-70-8N-(3,4-Dichlorophenyl)-N'-[4-(1-methylethyl)phenyl]urea1-(3,4-dichlorophenyl)-3-(4-isopropylphenyl)urea1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)ureaDTXSID20354299AKOS002934393ST50544503N-(3,4-dichlorophenyl)-N'-(4-isopropylphenyl)ureaN-(3,4-Dichlorophenyl)-N'-[4-(propan-2-yl)phenyl]urea
Show more names
N-(3,4-dichlorophenyl){[4-(methylethyl)phenyl]amino}carboxamide5364-54-5
Database identifiers
- CAS
29771-70-8- PubChem CID
- 768108
- DTXSID
DTXSID20354299- EC Number
- 683-773-2
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…