4-(phenylamino)phenol

• ChemBase ID: 110457
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: Oc1ccc(Nc2ccccc2)cc1
• Canonical SMILES: Oc1ccc(cc1)Nc1ccccc1
• InChI: InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
• InChIKey: JTTMYKSFKOOQLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(phenylamino)phenol
• IUPAC Traditional name: phenol, 4-(phenylamino)-
• Synonyms: 4-(Phenylamino)phenol; 4-Anilinophenol; 4-Hydroxydiphenylamine; P-HYDROXYDIPHENYLAMINE; 对羟基二苯胺

Database IDs

• CAS Number: 122-37-2
• EC Number: 204-538-9
• MDL Number: MFCD00020142
• Beilstein Number: 511942
• PubChem SID: 162096032
• PubChem CID: 31208

CALCULATED PROPERTIES

• Acid pKa: 9.974951
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1093879
• LogD (pH = 7.4): 3.1084552
• Log P: 3.1096063
• Molar Refractivity: 56.5251 cm^3
• Polarizability: 21.68569 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-71°C
• Boiling Point: 215-218°C/12mm
• Flash Point: 209°C(408°F)

Safety Information

• RTECS: SJ6950000
• European Hazard Symbols: X
• Risk Statements: 21-37/38-41
• Safety Statements: 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H311-H315-H335-H318
• GHS Precautionary statements: P261-P305+P351+P338-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05215109

MP Biomedicals Rare Chemical collection