1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)urea
Basic information
- CAS
13550-68-0- Standard SMILES
Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1- InChIKey
KQJSNQPZXALUGP-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.11134135
Names & identifiers
- Preferred name
- 1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)urea
- IUPAC
- 1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)urea
- English name
- 1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)urea
- Molecular formula
- C15H15N3O3
- Molecular weight
- 285.3
Names & synonyms
1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)ureaRefChem:42052413550-68-0666-396-8AKOS024336740Urea, N-(2,4-dimethylphenyl)-N'-(4-nitrophenyl)-
Database identifiers
- CAS
13550-68-0- PubChem CID
- 4176403
- EC Number
- 666-396-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 363.8 · 363.8±42.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 13.34 · 13.34±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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