phenylurea

• ChemBase ID: 70448
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: N(C(=O)N)c1ccccc1
• Canonical SMILES: NC(=O)Nc1ccccc1
• InChI: InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
• InChIKey: LUBJCRLGQSPQNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylurea
• IUPAC Traditional name: phenylurea
• Synonyms: 1-Phenylurea; N-Phenylurea; Phenylurea; PHENYLUREA; Phenylcarbamide; N-Phenylurea; 苯基脲; N-苯基脲; 苯基脲

Database IDs

• CAS Number: 64-10-8
• EC Number: 200-576-5
• MDL Number: MFCD00007944
• Beilstein Number: 1934615
• Merck Index: 147319
• PubChem SID: 162036164; 24898443
• PubChem CID: 6145

CALCULATED PROPERTIES

• Acid pKa: 13.768215
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.87741065
• LogD (pH = 7.4): 0.8774105
• Log P: 0.87741065
• Molar Refractivity: 39.5977 cm^3
• Polarizability: 14.500891 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144-148°C; 145-147 °C(lit.); 145-147°C
• Boiling Point: 238°C
• Density: 1.302
• Vapor Density: >1 (vs air)

Safety Information

• Storage Warning: IRRITANT
• RTECS: YU0650000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 36-60; S:36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Purity: 95+%; 97%
• Linear Formula: C6H5NHCONH2

DETAILS

MP Biomedicals - 05216693

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P36959

Packaging
100, 500 g in poly bottle