(3-hydroxyphenyl)urea

• ChemBase ID: 109995
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: NC(=O)Nc1cccc(O)c1
• Canonical SMILES: NC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)
• InChIKey: IPRCBIWIPMJXIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-hydroxyphenyl)urea
• IUPAC Traditional name: M-hydroxyphenylurea
• Synonyms: m-HYDROXYPHENYLUREA; 1-(3-hydroxyphenyl)urea; 1-(3-Hydroxyphenyl)urea; 3-羟基苯基脲

Database IDs

• CAS Number: 701-82-6
• EC Number: 211-860-3
• MDL Number: MFCD00007945
• PubChem SID: 162096335
• PubChem CID: 12796

CALCULATED PROPERTIES

• Acid pKa: 9.213291
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.5737618
• LogD (pH = 7.4): 0.56726104
• Log P: 0.5738453
• Molar Refractivity: 41.5786 cm^3
• Polarizability: 15.13336 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-184 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: HOC6H4NHCONH2

DETAILS

MP Biomedicals - 05213318

MP Biomedicals Rare Chemical collection