(4-chlorophenyl)urea

• ChemBase ID: 52352
• Molecular Formular: C7H7ClN2O
• Molecular Mass: 170.59628
• Monoisotopic Mass: 170.02469053
• SMILES: N(C(=O)N)c1ccc(cc1)Cl
• Canonical SMILES: NC(=O)Nc1ccc(cc1)Cl
• InChI: InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
• InChIKey: RECCURWJDVZHIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)urea
• IUPAC Traditional name: P-chlorophenylurea
• Synonyms: 4-Chlorophenylurea; 4-(Carbamoylamino)chlorobenzene; 4-Chlorophenylurea 98%; P-CHLOROPHENYLUREA; N-(4-chlorophenyl)urea; 4-Chlorophenylurea; 4-氯苯基脲

Database IDs

• CAS Number: 140-38-5
• EC Number: 205-412-6
• MDL Number: MFCD00014788
• Beilstein Number: 908492
• PubChem SID: 162057115
• PubChem CID: 8796

CALCULATED PROPERTIES

• Acid pKa: 13.728175
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.4814553
• LogD (pH = 7.4): 1.4814551
• Log P: 1.4814553
• Molar Refractivity: 44.4025 cm^3
• Polarizability: 16.403723 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C; 204-205°C; 204-205°C; 205-205°C
• Hydrophobicity(logP): 1.86

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: YS6127000
• TSCA Listed: false; 否

Product Information

• Purity: 95%; 98%

DETAILS

MP Biomedicals - 05210220

MP Biomedicals Rare Chemical collection