3-(3-Chlorophenyl)-1,1-diethylurea
Basic information
- CAS
15441-95-9- Standard SMILES
CCN(CC)C(=O)Nc1cccc(Cl)c1- InChIKey
FXODCODKNPOVAX-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0872908
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-1,1-diethylurea
- IUPAC
- 3-(3-chlorophenyl)-1,1-diethylurea
- English name
- N'-(3-Chlorophenyl)-N,N-diethylurea
- Molecular formula
- C11H15ClN2O
- Molecular weight
- 226.7
Names & synonyms
3-(3-chlorophenyl)-1,1-diethylurea15441-95-9DTXSID30340825RefChem:274127DTXCID50291906667-617-0N'-(3-Chlorophenyl)-N,N-diethylureaN/'-(3-Chlorophenyl)-N,N-diethylureaUrea, 3-(m-chlorophenyl)-1,1-diethyl-Urea, N'-(3-chlorophenyl)-N,N-diethyl-Cambridge id 5257462CBDivE_013983
Show more names
SCHEMBL11643923FXODCODKNPOVAX-UHFFFAOYSA-NHMS1580A16AKOS002956367N'-(3-Chlorophenyl)-N,N-diethylurea #AB00076982-01SR-01000201404SR-01000201404-1
Database identifiers
- CAS
15441-95-9- PubChem CID
- 567779
- DTXSID
DTXSID30340825- EC Number
- 667-617-0
- Nikkaji
- J104.664K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 89.5 · 89.5-90 °C
- Boiling point
- 379.2 · 379.2±34.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 14.42 · 14.42±0.70(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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