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715204

Sigma-Aldrich

Biphenyl-3-carboxylic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C13H10O2
CAS Number:
Molecular Weight:
198.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

solid

mp

164-168 °C

SMILES string

OC(=O)c1cccc(c1)-c2ccccc2

InChI

1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)

InChI key

XNLWJFYYOIRPIO-UHFFFAOYSA-N

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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A C Blackburn et al.
Acta crystallographica. Section C, Crystal structure communications, 52 ( Pt 9), 2320-2323 (1996-09-15)
In biphenyl-3-carboxylic acid, C13H10O2, hydrogen bonding is of the cyclic-dimer type about a center of symmetry. The carboxyl H atom is ordered. The dihedral angle between the planar phenyl rings is 31.78(8) degrees at 296 K and 31.27(6) degrees at

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