ChemicalBook CAS DataBase List 787-70-2

787-70-2

Name	Biphenyl-4,4'-dicarboxylic acid
CAS	787-70-2
EINECS(EC#)	212-328-3
Molecular Formula	C14H10O4
MDL Number	MFCD00002554
Molecular Weight	242.23
MOL File	787-70-2.mol

Synonyms

4,4'-BIBENZOIC ACID 4,4'-BIPHENYLDICARBOXYLIC ACID 4,4'-BISBENZOIC ACID 4,4'-DIBENZOIC ACID 4,4'-DICARBOXYDIPHENYL 4,4'-DIPHENIC ACID 4,4'-DIPHENYLDICARBOXYLIC ACID BIBENZOIC ACID BIPHENYL-4,4'-DICARBOXYLIC ACID DIPHENYL-4,4'-DICARBOXYLIC ACID LABOTEST-BB LT00452839 P,P'-BIPHENYLDICARBOXYLIC ACID P,P'-DIPHENIC ACID RARECHEM AL BO 0295 (1,1’-Biphenyl)-4,4’-dicarboxylicacid [1,1’-biphenyl]-4,4’-dicarboxylicacid usafdo-69 4-BiphenyldicarboxylicAcid 4,4'-Dicarboxybiphenyl 4-(4-Carboxyphenyl)benzoic acid

Chemical Properties

Appearance	White to light beige powder
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
form	Powder
pka	3.77±0.10(Predicted)
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	787-70-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P261-P305+P351+P338
Hazard Codes	Xi,Xn
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection . S36:Wear suitable protective clothing . less more
WGK Germany	3
RTECS	DV2975000
TSCA	TSCA listed
HS Code	29173990
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information

Description

Biphenyl-4,4′-dicarboxylic acid (BPDC) belongs to the class of monomers known as aromatic dicarboxylic acids. It is used to prepare BPDC-based polymers, which exhibit excellent thermal stability, making them suitable for applications where high-temperature resistance is required. These polymers also demonstrate high electrical insulation properties due to their low dielectric constant and high breakdown strength. They find applications in the electrical and electronics industry for insulation, encapsulation, and fabrication of high-performance electronic devices.

Chemical Properties

White to light beige powder

Uses

Dendrimer building block.

Application

Biphenyl-4,4′-dicarboxylic acid can be used:
As a key component In the synthesis of nematic aromatic polyesters which are valuable in the development of liquid crystal polymers with potential applications in electronics, optical devices automotive, and textiles.
As a linker or ligand in the synthesis of metal-organic frameworks (MOFs) for a wide range of potential applications in areas such as gas storage, catalysis, sensing, and separation technology.
As a building block in biomedical applications for the synthesis of various pharmaceutical compounds and materials with biological activity. It can also be utilized in the development of drug delivery systems and biomaterials due to its chemical properties.

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.]

Questions And Answer

Spectrum Detail

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