Basic information
- CAS
13208-51-0- Standard SMILES
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1- InChIKey
LPAFKALFDTZCSC-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0716407
Names & identifiers
- Preferred name
- 1-Benzyl-3-(4-chlorophenyl)urea
- IUPAC
- 1-benzyl-3-(4-chlorophenyl)urea
- English name
- N-benzyl-N'-(4-chlorophenyl)urea
- Molecular formula
- C14H13ClN2O
- Molecular weight
- 260.72
Names & synonyms
1-benzyl-3-(4-chlorophenyl)urea13208-51-0DTXSID50352642RefChem:227996DTXCID20303707667-647-4N-benzyl-N'-(4-chlorophenyl)ureaCHEMBL48609531-(4-chlorophenyl)-3-benzylureaHMS1578A12Cambridge id 5154475SCHEMBL8177097
Show more names
Urea, N-(4-chlorophenyl)-N'-(phenylmethyl)-
LPAFKALFDTZCSC-UHFFFAOYSA-NBDBM50576364STK070211AKOS000489210ST040783N-(4-chlorophenyl)[benzylamino]carboxamideCS-0337862AG-617/02198035
Database identifiers
- CAS
13208-51-0- PubChem CID
- 730667
- DTXSID
DTXSID50352642- ChEMBL
CHEMBL4860953- EC Number
- 667-647-4
- Nikkaji
- J3.220.877K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 188 · 188-190 °C(Solv: ethanol (64-17-5))
- Boiling point
- 392.9 · 392.9±42.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Related reactions
3 records
Compound notes
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