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| CAS No.: | 76-93-7 |
|---|---|
| Name: | Benzilic acid |
| Article Data: | 164 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H12O3 |
| Molecular Weight: | 228.247 |
| Synonyms: | 2-Hydroxy-2,2-diphenylaceticacid;Diphenylhydroxyacetic acid;a,a-Diphenyl-a-hydroxyacetic acid;a-Hydroxy-2,2-diphenylacetic acid;a-Hydroxydiphenylacetic acid; |
| EINECS: | 200-993-2 |
| Density: | 1.279 g/cm3 |
| Melting Point: | 149-151 °C(lit.) |
| Boiling Point: | 409 °C at 760 mmHg |
| Flash Point: | 215.3 °C |
| Solubility: | 1.41 g/L (25 ºC) |
| Appearance: | white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 57.53000 |
| LogP: | 2.00710 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide In acetonitrile Electrochemical reaction; Irradiation; | 98% |
| With Tetrapropylammonium chloride In acetonitrile at 20℃; under 760.051 Torr; for 10h; Electrochemical reaction; | 90% |
| With potassium iodide In N,N-dimethyl-formamide Hg pool cathode, platinum plate anode, constant current of 2.5 nA/cm2; | 86% |
| With tetrabutylammomium bromide In N,N-dimethyl-formamide at 20℃; electrochemical reaction; | 75% |
| With tetrabutylammonium halide In N,N-dimethyl-formamide Ambient temperature; electrolysis, Mg anode; | 70% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water for 0.5h; Heating; | 97% |
| With water; sodium hydroxide In ethanol for 0.5h; Reflux; | 97% |
| Stage #1: benzil With N-benzyl-trimethylammonium hydroxide at 40℃; for 4h; Stage #2: With hydrogenchloride In water pH=3; | 92% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 65℃; | 92% |
- 13249-75-7
(Z)-1,2,4-triphenyl-2-butene-1,4-dione
- 119-53-9
2-hydroxy-2-phenylacetophenone
A
- 4441-01-4
1,2,4-triphenylbutane-1,4-dione
B
- 76-93-7
Benzilic acid
C
- 134-81-6
benzil
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dimethyl sulfoxide for 2h; Mechanism; Ambient temperature; other reaction conditions, other substrates; | A 91% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With C19H32N6O4(2+)*2Br(1-); sodium hydroxide In acetonitrile for 1.83333h; Catalytic behavior; Reagent/catalyst; | 90% |
| Stage #1: benzaldehyde With oxygen; 1-butyl-3-methylimidazolium Tetrafluoroborate; potassium hydroxide at 60℃; for 0.416667h; Neat (no solvent); Microwave irradiation; Stage #2: With hydrogenchloride In water at 20℃; | 74% |
- 18181-80-1
bromopropylate
- 76-93-7
Benzilic acid
| Conditions | Yield |
|---|---|
| With methanol; gold; hydrogen; caesium carbonate at 100℃; under 3800.26 Torr; for 96h; | 87% |
- 62217-32-7
2-diphenylmethylene-1,3-benzodithiole
A
- 6461-76-3
1,2-benzenedisulfonyl dichloride
B
- 76-93-7
Benzilic acid
| Conditions | Yield |
|---|---|
| With chlorine In water; tert-butyl alcohol at 0 - 5℃; for 2h; Yields of byproduct given; | A n/a B 85% |
| With chlorine In water; tert-butyl alcohol at 0 - 5℃; for 2h; Yield given; | A n/a B 85% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; benzene | 75% |
- 492-70-6, 655-48-1, 2325-10-2, 38270-73-4, 52340-78-0, 579-43-1
1,2-diphenyl-1,2-ethanediol
A
- 76-93-7
Benzilic acid
B
- 65-85-0
benzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-diphenyl-1,2-ethanediol With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 760.051 Torr; for 3h; Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=1; Reagent/catalyst; Solvent; chemoselective reaction; | A 10% B 74% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Benzilic acid with CAS registry number of 76-93-7 is also called Benzeneacetic acid,a-hydroxy-a-phenyl-. Its EINECS registry number is 200-993-2. The IUPAC name is 2-hydroxy-2,2-diphenylacetic acid. In addition, the molecular formula is C14H12O3 and the molecular weight is 228.24. It is a kind of a white crystalline aromatic acid and soluble in many primary alcohols. In addition, it belongs to the classes of Pharmaceutical Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organics.
Physical properties about this chemical are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 0.14; (3)ACD/LogD (pH 7.4): -0.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.37; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 62.87 cm3; (14)Molar Volume: 178.3 cm3; (15)Polarizability: 24.92 ×10-24cm3; (16)Surface Tension: 56.3 dyne/cm; (17)Density: 1.279 g/cm3; (18)Flash Point: 215.3 °C; (19)Enthalpy of Vaporization: 69.71 kJ/mol; (20)Boiling Point: 409 °C at 760 mmHg; (21)Vapour Pressure: 2.01E-07 mmHg at 25°C.
Preparation of Benzilic acid: It can be prepared by heating mixture of benzil, alcohol and potassium hydroxide. And it can be prepared by diphenylethanedione. This reaction will need reagent NaOH and solvents ethanol and H2O. The reaction time is 30 minutes by heating at reaction. The yield is about 97%.
Uses of Benzilic acid: it can be used to determine the zirconium. And it can be used to get benzophenone. This reaction will need reagents sodium metavanadate and 70percent aq.HClO4. The reaction time is 10 minutes by heating. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
(3)InChIKey: UKXSKSHDVLQNKG-UHFFFAOYAV
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2gm/kg (2000mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958. | |
| mouse | LD50 | subcutaneous | 1300mg/kg (1300mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958. |