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: 2024-06-05 15:33:49
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) |
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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