| Benzilic acid Basic information |
| Product Name: | Benzilic acid |
| Synonyms: | BENZILIC ACID extrapure;Benzilic acidDiphenylglycolic acid;TrospiuM Chloride Related CoMpound A;Trospium Chloride Related Compound A (20 mg) (Benzilic Acid) (Internationally Restricted Sales Item);BENZILIC ACID FOR SYNTHESIS 1 KG;BENZILIC ACID FOR SYNTHESIS 250 G;Benzeneacetic acid,a-hydroxy-a-phenyl-;Trospium Chloride Related Compound A (20 mg) (Benzilic Acid) (International Restricted Sales Item) |
| CAS: | 76-93-7 |
| MF: | C14H12O3 |
| MW: | 228.25 |
| EINECS: | 200-993-2 |
| Product Categories: | Pharmaceutical Intermediates;Organics;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts |
| Mol File: | 76-93-7.mol |
| Benzilic acid Chemical Properties |
| Melting point | 149-151 °C(lit.) |
| Boiling point | 180 °C |
| density | 1.28 |
| refractive index | 1.5805 (estimate) |
| Fp | 180°C/22mm |
| storage temp. | Store below +30°C. |
| solubility | 1.41g/l (experimental) |
| form | Powder |
| pka | pKa (25°): 3.036 |
| color | White to cream-white |
| Water Solubility | 1.41 g/L (25 ºC) |
| Merck | 14,1080 |
| BRN | 521402 |
| Stability: | Stable. Incompatible with strong oxidizing agents. Combustible. |
| CAS DataBase Reference | 76-93-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-(76-93-7) |
| EPA Substance Registry System | Benzilic acid (76-93-7) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 36-36/37/39-26 |
| WGK Germany | 3 |
| RTECS | DD2064000 |
| TSCA | Yes |
| HS Code | 29181980 |
| Hazardous Substances Data | 76-93-7(Hazardous Substances Data) |
| Toxicity | LD50 orl-mus: 2 g/kg AIPTAK 116,154,58 |
| MSDS Information |
| Provider | Language |
|---|---|
| 2-Hydroxy-2,2-diphenylacetic acid | English |
| SigmaAldrich | English |
| ALFA | English |
| Benzilic acid Usage And Synthesis |
| Chemical Properties | white powder |
| Uses | Benzilic Acid is an impurity of Trospium (T892800), a tropine derivative with anticholinergic activity and a antiispasmodic agent. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 29, p. 1631, 1964 DOI: 10.1021/jo01029a509 |
| Safety Profile | Moderately toxic by subcutaneousroute. Slightly toxic by ingestion. When heated todecomposition it emits acrid smoke and irritating vapors. |
| Purification Methods | Crystallise benzilic acid from *benzene (ca 6mL/g), or hot H2O. [Beilstein 10 IV 1256.] |
| Benzilic acid Preparation Products And Raw materials |
| Raw materials | Potassium bromate-->Benzil |
| Preparation Products | Methyl benzilate-->2,2-Diphenylacetic acid-->BENACTYZINE HYDROCHLORIDE-->Bromopropylate-->Methylbenactyzine bromide-->1,2-BENZENEDISULFONYL DICHLORIDE-->Methyl cyclohexylphenylglycolate-->9-Carboxyfluorene |
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