(4-phenylphenyl)methanol

• ChemBase ID: 52905
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: c1ccc(cc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2
• InChIKey: AXCHZLOJGKSWLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenylphenyl)methanol
• IUPAC Traditional name: (4-phenylphenyl)methanol
• Synonyms: Biphenyl-4-ylmethanol; 4-(Hydroxymethyl)biphenyl; 4-Phenylbenzyl alcohol; Biphenyl-4-methanol; p-PHENYLBENZYL ALCOHOL; 4-Biphenylmethanol; (4-phenylphenyl)methanol; 4-(羟甲基)联苯; 4-苯基苄醇; 4-联苯甲醇; 联苯-4-甲醇

Database IDs

• CAS Number: 3597-91-9
• EC Number: 222-745-2
• MDL Number: MFCD00004660
• Beilstein Number: 1937761
• PubChem SID: 24847585; 162057668; 24848654
• PubChem CID: 19186

CALCULATED PROPERTIES

• Acid pKa: 14.995406
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8531215
• LogD (pH = 7.4): 2.8531213
• Log P: 2.8531215
• Molar Refractivity: 58.0101 cm^3
• Polarizability: 23.869638 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-100 °C(lit.); 98-104°C; 99-106 °C
• Boiling Point: 184°C/11mm

Safety Information

• Storage Warning: IRRITANT
• RTECS: DV5425000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 97%; 98%; 98+%
• Grade: purum
• Linear Formula: C6H5C6H4CH2OH

DETAILS

MP Biomedicals - 05221329

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 123838

Packaging
10 g in poly bottle
Application
Reagent for the rapid quantitative determination of lithium alkyls.1

Sigma Aldrich - 14444

Other Notes
Reagent for the rapid determination of lithium alkyls. Biphenyl-4-methanol as indicator is the reagent of choice since the color change at the titration end point is sharper (colorless to orange-red)1

REFERENCES

• Indicator for use in the determination of alkyllithiums: J. Org. Chem., 48, 2603 (1983).