| Identification | More | [Name]
2-Benzoylbenzoic acid | [CAS]
85-52-9 | [Synonyms]
2-BENZOYLBENZOIC ACID
2-CARBOXYBENZOPHENONE
AKOS BBS-00000803
BENZOPHENONE-2-CARBOXYLIC ACID
LABOTEST-BB LT01143281
OBBA
O-BENZOYLBENZOIC ACID
ORTHO-BENZOYL BENZOIC ACID
OTAVA-BB BB7020401721
RARECHEM AL BO 1426
2-Benzoquinonecarboxylic acid
2-benzoquinonecarboxylicacid
2-benzoyl-benzoicaci
Benzoic acid, o-benzoyl-
Benzoicacid,2-benzoyl-
Benzophenone-2-carbonic acid
benzophenone-2-carbonicacid
Diphenylmethanone-2-carboxylicacid
o-benzoyl-benzoicaci
o-Carboxybenzophenone | [EINECS(EC#)]
201-612-2 | [Molecular Formula]
C14H10O3 | [MDL Number]
MFCD00002472 | [Molecular Weight]
226.23 | [MOL File]
85-52-9.mol |
| Chemical Properties | Back Directory | [Appearance]
ALMOST WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER | [Melting point ]
126-129 °C (lit.) | [Boiling point ]
257-265 °C (lit.) | [density ]
1.2022 (rough estimate) | [refractive index ]
1.5767 (estimate) | [Fp ]
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]
85-52-9(EPA Substance) |
| Questions And Answer | Back Directory | [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%. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [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 |
| Hazard Information | Back Directory | [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]
Notclassified | [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.] |
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