1-Benzyl-3-(2-chlorophenyl)urea
Basic information
- CAS
13257-11-9- Standard SMILES
O=C(NCc1ccccc1)Nc1ccccc1Cl- InChIKey
ULVQICRGVOWPPD-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0716407
Names & identifiers
- Preferred name
- 1-Benzyl-3-(2-chlorophenyl)urea
- IUPAC
- 1-benzyl-3-(2-chlorophenyl)urea
- English name
- 1-Benzyl-3-(2-chlorophenyl)urea
- Molecular formula
- C14H13ClN2O
- Molecular weight
- 260.72
Names & synonyms
1-benzyl-3-(2-chlorophenyl)urea13257-11-9RefChem:429822667-190-0CHEMBL75600SCHEMBL27942165STK903099AKOS005654546Urea, N-(2-chlorophenyl)-N'-(phenylmethyl)-
Database identifiers
- CAS
13257-11-9- PubChem CID
- 5129458
- ChEMBL
CHEMBL75600- EC Number
- 667-190-0
- Nikkaji
- J2.821.143K
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 267
Physicochemical properties
- Boiling point
- 388.6 · 388.6±42.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±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
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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (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
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Related reactions
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Compound notes
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