N-(3-Chloro-4-methylphenyl)-N'-(4-isopropylphenyl)urea
Basic information
- CAS
853319-09-2- Standard SMILES
Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1Cl- InChIKey
SMFXCNKAMJMTIW-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O
- Average molar mass
- 302.8 g/mol
- Monoisotopic mass
- 302.1185909
Names & identifiers
- Preferred name
- N-(3-Chloro-4-methylphenyl)-N'-(4-isopropylphenyl)urea
- IUPAC
- 1-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
Names & synonyms
N-(3-chloro-4-methylphenyl)-N'-(4-isopropylphenyl)ureaRefChem:826400853319-09-2661-676-6STK902938AKOS0056539071-(3-chloro-4-methylphenyl)-3-[4-(propan-2-yl)phenyl]urea
Database identifiers
- CAS
853319-09-2- PubChem CID
- 45051163
- EC Number
- 661-676-6
Properties
Computed structural properties
- XLogP
- 5.2
- 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
- 340
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
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