4-(4-hydroxyphenyl)phenol

• ChemBase ID: 69997
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: c1(ccc(cc1)O)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)c1ccc(cc1)O
• InChI: InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
• InChIKey: VCCBEIPGXKNHFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-hydroxyphenyl)phenol
• IUPAC Traditional name: DOD; 4,4'-dihydroxybiphenyl
• Synonyms: p,p'-Biphenol; Biphenyl-4,4'-diol; 4,4'-Dihydroxybiphenyl; 4,4′-Biphenol; 4,4′-Biphenyldiol; 4,4′-Diphenol; 4,4′-Dihydroxybiphenyl; p,p'-DIPHENOL; 4,4'-BIPHENOL; 4,4'-Biphenol; 4,4'-Dihydroxybiphenyl; 4,4'-二羟基联苯; 4,4′-二苯酚; 4,4′-联苯二酚; 4,4′-联苯酚; 4,4′-二羟基联苯

Database IDs

• CAS Number: 92-88-6
• EC Number: 202-200-5
• MDL Number: MFCD00002348
• Beilstein Number: 1908886
• PubChem SID: 24850252; 24863431; 24863103; 162035722
• PubChem CID: 7112
• CHEBI ID: 34367
• CHEMBL: 76398
• Chemspider ID: 6845
• KEGG ID: C14297
• Wikipedia Title: 4,4'-Biphenol

CALCULATED PROPERTIES

• Acid pKa: 9.635642
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.013309
• LogD (pH = 7.4): 3.0108352
• Log P: 3.0133405
• Molar Refractivity: 55.156 cm^3
• Polarizability: 22.530914 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in ethanol and ether
• Melting Point: 279-285°C; 280-282 °C(lit.); 280-282°C; 280-285 °C; 284–285 °C
• Boiling Point: Sublimes
• Flash Point: > 93.3 °C

Safety Information

• Storage Warning: IRRITANT
• RTECS: DV4725000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 21-36/37/38; R:27-36/37/38
• Safety Statements: 26-36; 26-36/37; S:25-26-36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... ESR1(2099), ESR2(2100), MMP3(4314)

Product Information

• Purity: ≥98.0% (HPLC); ≥99%; 95+%; 97%; 98%; 99%
• Grade: purum; zone-refined
• Purified By: sublimation
• Linear Formula: HOC6H4C6H4OH

DETAILS

MP Biomedicals - 05208336

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 168734

Packaging
25, 100 g in poly bottle
Application
Used in the preparation of polyether liquid crystals.1