CAS 323-87-5 4-Hydroxy[1,1'-biphenyl]-3-carboxylic acid (HCID 67584)

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Basic information

CAS: 323-87-5
Standard SMILES: O=C(O)c1cc(-c2ccccc2)ccc1O
InChIKey: LGERKUYJCZOBTB-UHFFFAOYSA-N
Molecular formula: C13H10O3
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.06299418

Names & identifiers

Preferred name: 4-Hydroxy[1,1'-biphenyl]-3-carboxylic acid
IUPAC: 2-hydroxy-5-phenylbenzoic acid
English name: 4-hydroxy[1,1'-biphenyl]-3-carboxylic acid
Molecular formula: C13H10O3
Molecular weight: 214.22

Names & synonyms

323-87-54-hydroxy[1,1'-biphenyl]-3-carboxylic acid4-Hydroxy(1,1'-biphenyl)-3-carboxylic acidAI3-17392EINECS 206-301-5(1,1'-Biphenyl)-3-carboxylic acid, 4-hydroxy-DTXSID00186035[1,1'-Biphenyl]-3-carboxylic acid, 4-hydroxy-NSC 1885RefChem:99120DTXCID10108526206-301-5

Show more names

5-Phenyl-2-hydroxybenzoic acid4-Hydroxy-3-biphenylcarboxylic acid

4-Hydroxy-[1,1'-biphenyl]-3-carboxylic acid2-hydroxy-5-phenylbenzoic acid5-phenylsalicylic acid4-hydroxybiphenyl-3-carboxylic acidMFCD00272245Salicylic acid, 5-phenyl-CHEMBL1217722-hydroxy-5-phenyl-benzoic acid

Database identifiers

CAS: 323-87-5
PubChem CID: 67584
DTXSID: DTXSID00186035
ChEMBL: CHEMBL121772
UNII: 68N62L9HM6
EC Number: 206-301-5
Nikkaji: J111.177I

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 246

Physicochemical properties

Melting point: 215 · 215-216 °C(Solv: benzene (71-43-2))
Boiling point: 406 · 406.0±38.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 3.1 · 3.10±0.10(Predicted)
FDA UNII: 68 N62L9HM6 · 68N62L9HM6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P