4-phenylphenol

• ChemBase ID: 103310
• Molecular Formular: C12H10O
• Molecular Mass: 170.2072
• Monoisotopic Mass: 170.07316494
• SMILES: Oc1ccc(cc1)c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
• InChIKey: YXVFYQXJAXKLAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylphenol
• IUPAC Traditional name: phenylphenol
• Synonyms: Biphenyl-4-ol; 4-Phenylphenol; [1,1'-biphenyl]-4-ol; p-HYDROXYBIPHENYL; 4-HYDROXYDIPHENYL; 4-Phenylphenol; p-Phenylphenol; 4-Biphenylol; 4-Hydroxybiphenyl; p-HYDROXYBIPHENYL; 4-羟基联苯; 4-苯基苯酚

Database IDs

• CAS Number: 92-69-3
• EC Number: 202-179-2
• MDL Number: MFCD00002347
• Beilstein Number: 1907452
• Merck Index: 147305
• PubChem SID: 24848146; 24873393; 24878953; 24860843; 162103091; 24866580
• PubChem CID: 7103

CALCULATED PROPERTIES

• Acid pKa: 9.892062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3168883
• LogD (pH = 7.4): 3.3155177
• Log P: 3.316906
• Molar Refractivity: 53.1751 cm^3
• Polarizability: 22.011875 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166 °C; 164-166 °C(lit.); 164-168°C
• Boiling Point: 305-308°C; 321 °C(lit.)
• Flash Point: 160 °C; 165°C(329°F); 320 °F

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DV5850000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38; 36/37/38-51/53
• Safety Statements: 26-36/37; 26-37-57
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H411-H401
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: rat ... Ar(24208)

Product Information

• Purity: ≥98.0% (HPLC); 97%; 98%; 99%
• Grade: analytical standard; analytical standard, for environmental analysis; purum
• Packaging: ampule of 1000 mg
• Purified By: sublimation
• Linear Formula: C6H5C6H4OH

DETAILS

MP Biomedicals - 02151290

Crystalline
Reagent for colorimetric determination of threonine.

MP Biomedicals - 05203618

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 424625

Packaging
1 g in poly bottle

Sigma Aldrich - 134341

Packaging
100, 500 g in poly bottle
5 g in glass bottle

REFERENCES

• Z. Anal. Chem., 95: 323, (1933).