1-(4-Chlorophenyl)-3-(3-nitrophenyl)urea
Basic information
- CAS
13208-56-5- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1- InChIKey
XBCZXHOQARAWTL-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O3
- Average molar mass
- 291.69 g/mol
- Monoisotopic mass
- 291.0410689
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(3-nitrophenyl)urea
- IUPAC
- 1-(4-chlorophenyl)-3-(3-nitrophenyl)urea
- English name
- 1-(4-Chlorophenyl)-3-(3-nitrophenyl)urea
- Molecular formula
- C13H10ClN3O3
- Molecular weight
- 291.69
Names & synonyms
1-(4-chlorophenyl)-3-(3-nitrophenyl)urea13208-56-5DTXSID70354961RefChem:225035DTXCID70306021666-472-0N-(4-chlorophenyl)-N'-(3-nitrophenyl)ureaSCHEMBL22092548SCHEMBL29494979STK015217AKOS000484152N-4-chlorophenyl-N'-3-nitrophenyl urea
Show more names
Urea, N-(4-chlorophenyl)-N'-(3-nitrophenyl)-
ST45031165[(4-chlorophenyl)amino]-N-(3-nitrophenyl)carboxamide
Database identifiers
- CAS
13208-56-5- PubChem CID
- 787983
- DTXSID
DTXSID70354961- EC Number
- 666-472-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 349.3 · 349.3±27.0 °C(Predicted)
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- pka
- 13.21 · 13.21±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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