2-amino-4-phenylphenol

• ChemBase ID: 90389
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: Oc1c(cc(cc1)c1ccccc1)N
• Canonical SMILES: Oc1ccc(cc1N)c1ccccc1
• InChI: InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
• InChIKey: IGIDZGNPFWGICD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-phenylphenol
• IUPAC Traditional name: 2-amino-4-phenylphenol
• Synonyms: 2-Amino-4-phenylphenol; 3-amino-[1,1'-biphenyl]-4-ol; 2-Hydroxy-5-phenylaniline; 3-Amino-4-hydroxybiphenyl 98%; 3-amino-1,1'-biphenyl-4-ol; 3-氨基-4-羟基联苯

Database IDs

• CAS Number: 1134-36-7
• EC Number: 214-484-8
• MDL Number: MFCD00059187
• PubChem SID: 162077202; 24864568
• PubChem CID: 14562

CALCULATED PROPERTIES

• Acid pKa: 10.223564
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4604094
• LogD (pH = 7.4): 2.4869227
• Log P: 2.48798
• Molar Refractivity: 57.8755 cm^3
• Polarizability: 23.103466 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 202°C; 198-202 °C(lit.)
• Hydrophobicity(logP): 2.506

Safety Information

• Storage Warning: Irritant
• RTECS: DV6037500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%; 95%
• Grade: technical grade
• Linear Formula: H2NC6H3(C6H5)OH

DETAILS

Sigma Aldrich - 394114

Packaging
1, 5 g in glass bottle