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HomeProduct name list2-Benzoylbenzoic acid

2-Benzoylbenzoic acid

Synonym(s):Benzophenone-2-carboxylic acid

  • CAS NO.:85-52-9
  • Empirical Formula: C14H10O3
  • Molecular Weight: 226.23
  • MDL number: MFCD00002472
  • EINECS: 201-612-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-01 18:09:03
2-Benzoylbenzoic acid Structural

What is 2-Benzoylbenzoic acid?

Chemical properties

ALMOST WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER

The Uses of 2-Benzoylbenzoic acid

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.]

Properties of 2-Benzoylbenzoic acid

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)
pka pK1: 3.54 (25°C)
form  Crystalline Powder
color  Almost white to slightly beige
Water Solubility  284mg/L at 20℃
BRN  1107841
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 for 2-Benzoylbenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 2-Benzoylbenzoic acid

InChIKey FGTYTUFKXYPTML-UHFFFAOYSA-N

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