CAS 1467-21-6 1-Benzyl-3-phenylurea (HCID 280363)

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Basic information

CAS: 1467-21-6
Standard SMILES: O=C(NCc1ccccc1)Nc1ccccc1
InChIKey: XXFBRXQVPJVXFB-UHFFFAOYSA-N
Molecular formula: C14H14N2O
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.11061307

Names & identifiers

Preferred name: 1-Benzyl-3-phenylurea
IUPAC: 1-benzyl-3-phenylurea
English name: Urea,N-phenyl-N'-(phenylmethyl)-
Molecular formula: C14H14N2O
Molecular weight: 226.27

Names & synonyms

1-benzyl-3-phenylureaRefChem:429891653-576-6N-benzyl-N'-phenylurea1467-21-6CHEMBL61606251-phenyl-3-benzylurea3-benzyl-1-phenylureaNSC1319571-benzyl-3-phenyl-ureaMaybridge4_002662N-benzyl-N'-phenyl urea

Show more names

N-phenyl-N'-benzylureaN-Phenyl-N′-(phenylmethyl)ureaUrea,N-phenyl-N'-(phenylmethyl)-

N-phenyl-N'-benzyl-ureaN-Benzyl-N'-phenyl-ureaSCHEMBL1385743SCHEMBL2831462SCHEMBL4797277SCHEMBL4798336SCHEMBL5852223SCHEMBL7984182

Database identifiers

CAS: 1467-21-6
PubChem CID: 280363
DTXSID: DTXSID00299674
ChEMBL: CHEMBL6160625
EC Number: 653-576-6
Nikkaji: J961.377C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 230

Physicochemical properties

Melting point: 169 · 169-171 °C
Boiling point: 366.5 · 366.5±25.0 °C(Predicted)
Density: 1.178 · 1.178±0.06 g/cm3(Predicted)
pka: 12 · 12+-.0.46(Predicted)
InChI: InChI=1S/C14H14N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
InChIKey: XXFBRXQVPJVXFB-UHFFFAOYSA-N
SMILES: N(C1=CC=CC=C1)C(NCC1=CC=CC=C1)=O
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
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, 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 40 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
hazard_class: 9
Hazard statements: H302-H319
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-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501