Biphenyl-4,4'-dicarboxylic acid Chemical Properties

Melting point:

>300 °C(lit.)

Boiling point:

482.5±38.0 °C(Predicted)

Density 

1.347±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

3.77±0.10(Predicted)

form 

Powder

color 

White to light beige

BRN 

523308

InChI

InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChIKey

NEQFBGHQPUXOFH-UHFFFAOYSA-N

SMILES

C1(C2=CC=C(C(O)=O)C=C2)=CC=C(C(O)=O)C=C1

CAS DataBase Reference

787-70-2(CAS DataBase Reference)

EPA Substance Registry System

[1,1'-Biphenyl]-4,4'-dicarboxylic acid (787-70-2)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

26-37/39-36

WGK Germany 

3

RTECS 

DV2975000

HS Code 

29173990

MSDS

• Language:English Provider:SigmaAldrich

Biphenyl-4,4'-dicarboxylic acid Usage And Synthesis

Chemical Properties

White to light beige powder

Uses

Dendrimer building block.

Purification Methods

The dicarboxylic acid is a white amorphous or microcrystalline substance which does not melt or sublime. It is best purified by precipitation of an aqueous alkaline solution with mineral acid, washing well with H2O and drying in vacuo at 100o. It is characterized by conversion to diphenyl-4,4’-dicarbonyl chloride (with PCl5 [Work J Chem Soc 1317 1940], or by phase transfer catalysis with SOCl2 + BuEt3N+Cl-in 1,2-dichloroethane [Burdett Synthesis 441 1991]) which crystallises from *C6H6 with m 184o. The di-acid chloride gives the dimethyl ester with MeOH, and has m 215-217o (plates from MeOH, m’s of 214o and 224o were also reported). The diethyl ester is similarly prepared with EtOH and has m 122o (from EtOH). [Beilstein 9 II 665, 9 III 4519, 9 IV 3563.]

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