2-Biphenylcarboxylic acid, 2'-hydroxymethyl-
Basic information
- CAS
18773-63-2- Standard SMILES
O=C(O)c1ccccc1-c1ccccc1CO- InChIKey
SPNSKYPCPQHXRA-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 2-Biphenylcarboxylic acid, 2'-hydroxymethyl-
- IUPAC
- 2-[2-(hydroxymethyl)phenyl]benzoic acid
- English name
- 2'-Hydroxymethyl-biphenyl-2-carboxylic acid
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
18773-63-2BRN 21145802-Hydroxymethyl-2'-carboxybiphenyl2-BIPHENYLCARBOXYLIC ACID, 2'-HYDROXYMETHYL-DTXSID001720794-10-00-01285 (Beilstein Handbook Reference)RefChem:256657DTXCID00945702'-(Hydroxymethyl)-[1,1'-biphenyl]-2-carboxylic acid2-(2-HYDROXYMETHYLPHENYL)BENZOIC ACID2-[2-(hydroxymethyl)phenyl]benzoic acidMFCD00156974
Show more names
2HYDROXYMETHYL2CARBOXYBIPHENYL2'-Hydroxymethyl-biphenyl-2-carboxylic acid1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-
[1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-2'-(Hydroxymethyl)-[1,1'-biphenyl]-2-carboxylicacidSCHEMBL7969105SCHEMBL11243439BS-21995CS-0208855G72537F236146
Database identifiers
- CAS
18773-63-2- PubChem CID
- 29245
- DTXSID
DTXSID00172079- Nikkaji
- J41.831E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 432.3 · 432.3±33.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.82 · 3.82±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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