N-(3-Chloro-4-methylphenyl)-N'-(2,6-diisopropylphenyl)urea
Basic information
- CAS
853319-10-5- Standard SMILES
Cc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1Cl- InChIKey
CMEMCWLJYPVWSY-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.1655411
Names & identifiers
- Preferred name
- N-(3-Chloro-4-methylphenyl)-N'-(2,6-diisopropylphenyl)urea
- IUPAC
- 1-(3-chloro-4-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
- English name
- 3-[2,6-bis(propan-2-yl)phenyl]-1-(3-chloro-4-methylphenyl)urea
- Molecular formula
- C20H25ClN2O
- Molecular weight
- 344.8783
Names & synonyms
N-(3-chloro-4-methylphenyl)-N'-(2,6-diisopropylphenyl)ureaRefChem:826393853319-10-5661-678-7AKOS0243280993-[2,6-bis(propan-2-yl)phenyl]-1-(3-chloro-4-methylphenyl)urea
Database identifiers
- CAS
853319-10-5- PubChem CID
- 45051164
- EC Number
- 661-678-7
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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