| | Identification | More |  | [Name] 
 3-BENZOYLBENZOIC ACID
 |  | [CAS] 
 579-18-0
 |  | [Synonyms] 
 3-BENZOYLBENZOIC ACID
 BENZOPHENONE-3-CARBOXYLIC ACID
 M-BENZOYL BENZOIC ACID
 3-benzoyl-benzoicaci
 3-BENZOYL-BENZONIC ACID
 3-Benzoylbenzoicacid,98%
 3-carboxybenzophenone
 META-BENZOYLBENZOICACID
 |  | [EINECS(EC#)] 
 621-014-9
 |  | [Molecular Formula] 
 C14H10O3
 |  | [MDL Number] 
 MFCD00002518
 |  | [Molecular Weight] 
 226.23
 |  | [MOL File] 
 579-18-0.mol
 | 
 | Chemical Properties | Back Directory |  | [Appearance] 
 white to light beige powder
 |  | [Melting point ] 
 164-166 °C (lit.)
 |  | [Boiling point ] 
 327.84°C (rough estimate)
 |  | [density ] 
 1.2022 (rough estimate)
 |  | [refractive index ] 
 1.5767 (estimate)
 |  | [storage temp. ] 
 Inert atmosphere,Room Temperature
 |  | [form ] 
 Powder
 |  | [pka] 
 3.86±0.10(Predicted)
 |  | [color ] 
 White to light beige
 |  | [Water Solubility ] 
 Insoluble in water.
 |  | [BRN ] 
 2212366
 |  | [InChI] 
 InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)
 |  | [InChIKey] 
 AXJXRLHTQQONQR-UHFFFAOYSA-N
 |  | [SMILES] 
 C(O)(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1
 |  | [CAS DataBase Reference] 
 579-18-0(CAS DataBase Reference)
 | 
 | 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 .
 S37/39:Wear suitable gloves and eye/face protection .
 |  | [WGK Germany ] 
 3
 
 |  | [HS Code ] 
 29183000
 | 
 | Hazard Information | Back Directory |  | [Chemical Properties] 
 white to light beige powder
 |  | [Uses] 
 3-Benzoylbenzoic acid has been used in light-induced reactions on benzophenone-terminated boron-doped diamond (BDD) surfaces and preparation of benzophenone flavonol derivative.
 |  | [Purification Methods] 
 Crystallise the acid from EtOH and sublime it at 160o/1mm. [Beilstein 10 H 752, 10 III 3304, 10 IV 2982.]
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