1-(4-Methylphenyl)-3-phenylurea

HCID 572170CAS 4300-33-8

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(NC(=O)Nc2ccccc2)cc1
InChIKey: AGZGRJNNPSJVKR-UHFFFAOYSA-N
Molecular formula: C14H14N2O
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.11061307

Names & identifiers

Preferred name: 1-(4-Methylphenyl)-3-phenylurea
IUPAC: 1-(4-methylphenyl)-3-phenylurea
English name: 4'-Methylcarbanilide
Molecular formula: C14H14N2O
Molecular weight: 226.27

Names & synonyms

1-(4-methylphenyl)-3-phenylurea4300-33-8DTXSID20341306RefChem:225487DTXCID002923873-(4-methylphenyl)-1-phenylurea1-Phenyl-3-(p-tolyl)ureaN-(4-methylphenyl)-N'-phenylurea1-Phenyl-3-p-tolylurea4'-METHYLCARBANILIDE1-p-tolyl-3-phenylureaN-phenyl-N'-p-tolylurea

Show more names

Urea, N-(4-methylphenyl)-N'-phenyl-

Oprea1_621055SCHEMBL77002SCHEMBL95460SCHEMBL366747MFCD00025971N-(4-Methylphenyl)-N'-phenyl-ureaSTK417955AKOS002943786

Database identifiers

CAS: 4300-33-8
PubChem CID: 572170
DTXSID: DTXSID20341306
EC Number: 688-750-0
Nikkaji: J1.070.520G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 218 °C · 218 °C
Boiling point: 280.8 · 280.8±19.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
pka: 14.46 · 14.46±0.70(Predicted)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H411
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
RIDADR: 3077 · UN3077
HazardClass: 9 · 9
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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

ridadr: UN3077
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_class: 9
Hazard statements: H302-H411
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P270-P301+P312-P330-P501