2-(2-hydroxyphenyl)phenol

• ChemBase ID: 107037
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: Oc1ccccc1c1ccccc1O
• Canonical SMILES: Oc1ccccc1c1ccccc1O
• InChI: InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
• InChIKey: IMHDGJOMLMDPJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyphenyl)phenol
• IUPAC Traditional name: 2,2'-biphenol
• Synonyms: 2,2'-BIPHENOL; 2,2′-Biphenyldiol; 2,2′-Dihydroxybiphenyl; 2,2′-Diphenol; 2,2′-Biphenol; [1,1'-Biphenyl]-2,2'-diol; o,o'-Biphenol; Biphenyl-2,2'-diol; 2,2'-Dihydroxybiphenyl; 2,2′-Biphenol; 2,2′-Dihydroxybiphenyl; 2,2′-二羟基联苯; 2,2′-联苯二酚; 2,2′-联苯酚; 2,2'-联苯酚; 2,2'-二羟基联苯; 2,2′-双苯酚; 2,2′-二羟基联苯

Database IDs

• CAS Number: 1806-29-7
• EC Number: 217-303-0
• MDL Number: MFCD00002210
• Beilstein Number: 1638363
• PubChem SID: 162094846; 24847240
• PubChem CID: 15731

CALCULATED PROPERTIES

• Acid pKa: 9.205184
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0132554
• LogD (pH = 7.4): 3.00662
• Log P: 3.0133405
• Molar Refractivity: 55.156 cm^3
• Polarizability: 22.542116 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107-111°C; 108°C; 108-110 °C; 108-110 °C(lit.)
• Boiling Point: 314-316°C; 315 °C(lit.); 315°C
• Flash Point: 154 °C; 154°C(309°F); 309.2 °F
• Density: 1.34

Safety Information

• RTECS: DV4200000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 22-36; 37/38-41
• Safety Statements: 26-36; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319; H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280-P301+P310-P305+P351+P338-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 95+%; 99%
• Grade: purum
• Linear Formula: HOC6H4C6H4OH
• Empirical Formula (Hill Notation): C12H10O2

DETAILS

MP Biomedicals - 05202307

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 115819

Packaging
100, 500 g in glass bottle

REFERENCES

• Reacts with borane-THF to form the hydroborating agent 2,2'-biphenoxyborane (1,3,2-biphenyldioxaborepin). With this reagent cis-hydroboration is achieved with similar regioselectivity to catecholborane but greater reactivity: Heterocycles, 32, 425 (1991).