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| CAS No.: | 23516-79-2 |
|---|---|
| Name: | 1-(4-AMINOPHENYL)-2,2,2-TRIFLUORO-1-ETHANONE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H6F3NO |
| Molecular Weight: | 189.137 |
| Synonyms: | 1-(4-Aminophenyl)-2,2,2-trifluoroethan-1-one;1-(4-aminophenyl)-2,2,2-trifluoro-ethanone; |
| EINECS: | 245-709-8 |
| Density: | 1.354 g/cm3 |
| Melting Point: | 92-94 °C |
| Boiling Point: | 269.1 °C at 760 mmHg |
| Flash Point: | 116.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 43.09000 |
| LogP: | 2.59500 |
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Specification
The 1-(4-Aminophenyl)-2,2,2-trifluoro-1-ethanone, with the CAS registry number 23516-79-2, is also known as 4'-Amino-2,2,2-trifluoroacetophenone. Its EINECS number is 245-709-8. This chemical's molecular formula is C8H6F3NO and molecular weight is 189.13. Its systematic name is called 1-(4-aminophenyl)-2,2,2-trifluoroethanone.
Physical properties of 1-(4-Aminophenyl)-2,2,2-trifluoro-1-ethanone: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 2.81; (5)ACD/BCF (pH 7.4): 2.82; (6)ACD/KOC (pH 5.5): 73; (7)ACD/KOC (pH 7.4): 73.01; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 40.97 cm3; (13)Molar Volume: 139.6 cm3; (14)Surface Tension: 35.9 dyne/cm; (15)Density: 1.354 g/cm3; (16)Flash Point: 116.5 °C; (17)Enthalpy of Vaporization: 50.72 kJ/mol; (18)Boiling Point: 269.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00741 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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(c1ccc(N)cc1)C(F)(F)F
(2)InChI: InChI=1/C8H6F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H,12H2
(3)InChIKey: GHGLSQSKVJUUNZ-UHFFFAOYAP