1-(4-Chlorophenyl)-3-(4-methoxyphenyl)urea
Basic information
- CAS
3840-76-4- Standard SMILES
COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1- InChIKey
QJNLZHXJKUTIJY-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
- Monoisotopic mass
- 276.0665554
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(4-methoxyphenyl)urea
- IUPAC
- 1-(4-chlorophenyl)-3-(4-methoxyphenyl)urea
- English name
- 1-(4-CHLOROPHENYL)-3-(4-METHOXYPHENYL)UREA
- Molecular formula
- C14H13ClN2O2
- Molecular weight
- 276.72
Names & synonyms
1-(4-chlorophenyl)-3-(4-methoxyphenyl)urea3840-76-4DTXSID30304184RefChem:225037DTXCID00255316668-909-0N-(4-chlorophenyl)-N'-(4-methoxyphenyl)ureaNSC164455Oprea1_336970SCHEMBL4112669CHEMBL1652338STK098507
Show more names
Urea, N-(4-chlorophenyl)-N'-(4-methoxyphenyl)-
AKOS000489209NSC-164455ST040782AB00030176-01N-(4-chlorophenyl)[(4-methoxyphenyl)amino]carboxamide
Database identifiers
- CAS
3840-76-4- PubChem CID
- 295294
- DTXSID
DTXSID30304184- ChEMBL
CHEMBL1652338- EC Number
- 668-909-0
- Nikkaji
- J3.022.167B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 254 °C · 254 °C(Solv: ethanol (64-17-5))
- Boiling point
- 330.5 · 330.5±27.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
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Related reactions
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Compound notes
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