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

HCID 243265CAS 3594-90-9

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Basic information

Standard SMILES: OCc1ccccc1-c1ccccc1CO
InChIKey: UIMJANTUJQGSEX-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Overview

2,2'-biphenyldimethanol is a member of biphenyls.

Names & identifiers

Preferred name: (1,1'-Biphenyl)-2,2'-dimethanol
IUPAC: [2-[2-(hydroxymethyl)phenyl]phenyl]methanol
English name: 2,2'-BIPHENYLDIMETHANOL
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

2,2'-Biphenyldimethanol3594-90-9[1,1'-biphenyl]-2,2'-diyldimethanol[1,1'-Biphenyl]-2,2'-dimethanolCHEBI:19280DTXSID70287826(1,1'-Biphenyl)-2,2'-dimethanol(1,1'-biphenyl)-2,2'-diyldimethanolRefChem:1049173DTXCID102389732,2'-bis(hydroxymethyl)biphenyl2,2'-Di(hydroxymethyl)biphenyl

Show more names

RARECHEM AL BD 03774,4''-BIPHENYLDEMETHANO2,2'-Biphenyldimethanol 98%1,1'-Biphenyl]-2,2'-diyldimethanol[2-(2-methylolphenyl)phenyl]methanol

[2-[2-(hydroxymethyl)phenyl]phenyl]methanolbiphenyl-2,2'-diyldimethanolMFCD000748892,2'-Bibenzyl alcoholMaybridge3_0006472,2 inverted exclamation marka-BiphenyldimethanolOprea1_556076SCHEMBL1221964

Database identifiers

CAS: 3594-90-9
PubChem CID: 243265
DTXSID: DTXSID70287826
ChEBI: CHEBI:19280
Nikkaji: J427.318D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 110 · 110-111 °C(lit.)
Boiling point: 442 · 442.0±40.0 °C(Predicted)
Density: 1.174 · 1.174±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 13.94 · 13.94±0.10(Predicted)
InChI: 1S/C14H14O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2
InChIKey: UIMJANTUJQGSEX-UHFFFAOYSA-N
SMILES: OCc1ccccc1-c2ccccc2CO
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
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)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids