1-Butyl-3-(4-chlorophenyl)urea
Basic information
- CAS
6333-41-1- Standard SMILES
CCCCNC(=O)Nc1ccc(Cl)cc1- InChIKey
MNOHIZOFLRRKSB-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0872908
Names & identifiers
- Preferred name
- 1-Butyl-3-(4-chlorophenyl)urea
- IUPAC
- 1-butyl-3-(4-chlorophenyl)urea
- English name
- 1-Butyl-3-(4-chloro-phenyl)-urea
- Molecular formula
- C11H15ClN2O
- Molecular weight
- 226.7
Names & synonyms
1-butyl-3-(4-chlorophenyl)urea6333-41-1DTXSID90284695RefChem:229054DTXCID102358461-Butyl-3-(4-chloro-phenyl)ureaNSC384281-BUTYL-3-(4-CHLORO-PHENYL)-UREASCHEMBL5612740SCHEMBL10585478N-Butyl-N'-(4-chlorophenyl)ureaUrea,n-butyl-n-(4-chlorophenyl)-
Show more names
Urea, N-butyl-N'-(4-chlorophenyl)-
NSC-38428AKOS003510950DS-012580
Database identifiers
- CAS
6333-41-1- PubChem CID
- 236229
- DTXSID
DTXSID90284695- EC Number
- 688-782-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 171 · 171-172 °C
- Boiling point
- 313.8 · 313.8±34.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 14.02 · 14.02±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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