(1,1'-Biphenyl)-2-methanol

HCID 76229CAS 2928-43-0

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1ccccc1-c1ccccc1
InChIKey: VKTQADPEPIVMHK-UHFFFAOYSA-N
Molecular formula: C13H12O
Average molar mass: 184.23 g/mol
Monoisotopic mass: 184.088815

Names & identifiers

Preferred name: (1,1'-Biphenyl)-2-methanol
IUPAC: (2-phenylphenyl)methanol
English name: 2-BIPHENYLMETHANOL
Molecular formula: C13H12O
Molecular weight: 184.23

Names & synonyms

2928-43-0[1,1'-Biphenyl]-2-methanolo-Phenylbenzyl alcohol(1,1'-Biphenyl)-2-methanolDTXSID801031183RefChem:1049176DTXCID201344568220-892-72-Biphenylmethanol[1,1'-Biphenyl]-2-ylmethanol(2-phenylphenyl)methanol[1,1-Biphenyl]-2-ylmethanol

Show more names

2-DIPHENYLMETHANOLRARECHEM AL BD 08592-Biphenylmethanol,98%2-Biphenylmethanol 99%2-Phenylbenzenemethanol

Biphenyl-2-methanol2-Phenylbenzyl alcoholMFCD00004620Biphenyl-2-yl-methanol41376-19-6(2-phenylphenyl)methan-1-olBiphenylmethanol(1,1'-Biphenyl)methanol

Database identifiers

CAS: 2928-43-0、41376-19-6
PubChem CID: 76229
DTXSID: DTXSID801031183
ChEMBL: CHEMBL333825
EC Number: 220-892-7
Nikkaji: J236.209K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 46 · 46-48 °C (lit.)
Boiling point: 96 °C/0.04 · 96 °C/0.04 mmHg (lit.)
Density: 1.012 · 1.0120 (rough estimate)
refractive index: 1.5928 · 1.5928 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 14.25 · 14.25±0.10(Predicted)
color: White to Pale Beige
BRN: 1866883 · 1866883
InChI: 1S/C13H12O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey: VKTQADPEPIVMHK-UHFFFAOYSA-N
SMILES: OCc1ccccc1-c2ccccc2
CAS DataBase Reference: 2928 · 2928-43-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
HS Code: 2906290090 · 2906290090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2906290090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Biphenylmethanol was used in the synthesis of o-ethynylbiphenyl and o-alkynylstyrene derivatives.

General Description2-Biphenylmethanol exhibits the formation of a new phase in a supercooled liquid state which was studied by differential scanning calorimetry and x-ray diffraction measurements. On heating 2-biphenylmethanol undergoes transformation from the glassy to liquid phase which has been investigated by luminescence spectra.