2-Benzoylbenzoic acid Chemical Properties

Melting point:

126-129 °C (lit.)

Boiling point:

257-265 °C (lit.)

Density 

1.2022 (rough estimate)

refractive index 

1.5767 (estimate)

Flash point:

257°C

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Crystalline Powder

pka

pK1: 3.54 (25°C)

color 

Almost white to slightly beige

Water Solubility 

284mg/L at 20℃

BRN 

1107841

InChIKey

FGTYTUFKXYPTML-UHFFFAOYSA-N

LogP

1.4 at 35℃

CAS DataBase Reference

85-52-9(CAS DataBase Reference)

NIST Chemistry Reference

Benzoic acid, 2-benzoyl-(85-52-9)

EPA Substance Registry System

Benzoic acid, 2-benzoyl- (85-52-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-37/39

WGK Germany 

2

RTECS 

DG3600000

TSCA 

Yes

HS Code 

29183000

Hazardous Substances Data

85-52-9(Hazardous Substances Data)

Toxicity

LD50 orl-rat: 4600 mg/kg GTPZAB 15(11),52,71

MSDS

• Language:English Provider:2-Benzoylbenzoic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2-Benzoylbenzoic acid Usage And Synthesis

Synthesis

In the presence of aluminum trichloride, phthalic anhydride and benzene are condensed and obtained by hydrolysis. The hydrochloric acid gas by-product in the reaction should preferably be absorbed into dilute hydrochloric acid for subsequent use. The industrial benzoylbenzoic acid is white to beige powder, the purity is above 97%, and the initial melting point of the dry product is ≥126.0%.

Chemical Properties

ALMOST WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER

Uses

2-Benzoylbenzoic Acid is a reagent that is used in the synthesis of BzATP Triethylammonium Salt, which is a selective P2X purinergic agonist. It is more potent than ATP at homodimeric P2X7 receptors.

Synthesis Reference(s)

Journal of the American Chemical Society, 70, p. 2758, 1948 DOI: 10.1021/ja01188a035
The Journal of Organic Chemistry, 39, p. 2051, 1974 DOI: 10.1021/jo00928a016

Flammability and Explosibility

Not classified

Safety Profile

Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors.

Purification Methods

Recrystallise the acid from *C6H6 or cyclohexane, but it is best recrystallised by dissolving in a small volume of hot toluene and then adding just enough pet ether to cause turbidity, and cool. Dry it in a low vacuum at 80o. It can be sublimed at 230-240o/0.3mm [Bray et al. J Chem Soc 265 1957]. The S-benzylisothiuronium salt has m 177-178o (from EtOH). [Lewenz & Serijan J Am Chem Soc 75 4087 1953, Beilstein 10 H 747, 10 IV 2977.]

2-Benzoylbenzoic acid(85-52-9)Related Product Information

• 2-Nitrobenzoic acid
• Thiosalicylic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• Folic acid
• 2-Iodobenzoic acid
• 2-Aminobenzyl alcohol
• Methyl anthranilate
• 2-Amino-p-cresol
• Ascoric Acid
• Anthranilic acid
• 9-FLUORENONE-1-CARBOXYLIC ACID
• BENZOPHENONE-2,4'-DICARBOXYLIC ACID
• 2-(4-FLUOROBENZOYL)BENZOIC ACID
• 2-(4-Chloro-3-nitrobenzoyl)benzoic acid
• 2-(4-ETHYLBENZOYL)BENZOIC ACID
• 4-Methyl-2-benzoylbenzoic acid
• 2-(3-Amino-4-chloro-benzoyl)benzoic acid
• N2-Benzoylbenzoic acid hydrazide