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| CAS No.: | 595-91-5 |
|---|---|
| Name: | Triphenylacetic acid |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C20H16O2 |
| Molecular Weight: | 288.346 |
| Synonyms: | Aceticacid, triphenyl- (6CI,7CI,8CI);2,2,2-Triphenylacetic acid;Triphenylacetic acid;Triphenylmethanecarboxylic acid;a,a-Diphenylbenzeneacetic acid; |
| EINECS: | 209-873-4 |
| Density: | 1.0992 (rough estimate) |
| Melting Point: | 270-273 °C(lit.) |
| Boiling Point: | 401.4 °C at 760 mmHg |
| Flash Point: | 210.7 °C |
| Appearance: | white to beige fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Safety: | 24/25 |
| PSA: | 37.30000 |
| LogP: | 4.10560 |
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Specification
The CAS registry number of Triphenylacetic acid is 595-91-5. Its EINECS registry number is 209-873-4. The IUPAC name is 2,2,2-triphenylacetic acid. In addition, the molecular formula is C20H16O2 and the molecular weight is 288.34. It is also called Benzeneacetic acid,a,a-diphenyl-. What's more, it is a kind of white to beige fine crystalline powder and belongs to the class of Phenylacetic Acid.
Physical properties about this chemical are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 32.29; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 101.8; (8)ACD/KOC (pH 7.4): 3.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 210.7 °C; (14)Enthalpy of Vaporization: 68.8 kJ/mol; (15)Boiling Point: 401.4 °C at 760 mmHg; (16)Vapour Pressure: 3.64E-07 mmHg at 25°C.
Uses of Triphenylacetic acid: it can be used to get triphenylmethane. This reaction will need catalyst Cu2O and solvent acetonitrile. The yield is about 100% at reaction temperature of 50 °C.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)/p-1
(3)InChIKey: DCYGAPKNVCQNOE-REWHXWOFAE