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| CAS No.: | 722-92-9 |
|---|---|
| Name: | 4-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE |
| Molecular Structure: | |
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| Formula: | C9H7F6NO |
| Molecular Weight: | 259.151 |
| Synonyms: | Benzylalcohol, p-amino-a,a-bis(trifluoromethyl)-(6CI,7CI,8CI);1-(4-Aminophenyl)-1-trifluoromethyl-2,2,2-trifluoroethanol;2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]aniline;KP 4;[4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amine;p-Amino-a,a-bis(trifluoromethyl)benzyl alcohol; |
| Density: | 1.505 g/cm3 |
| Melting Point: | 147-152 °C |
| Boiling Point: | 292.9 °C at 760 mmHg |
| Flash Point: | 130.9 °C |
| Appearance: | light brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 46.25000 |
| LogP: | 3.16220 |
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Specification
This chemical is called 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol, and it can also be named as 4-(Hexafluoro-2-hydroxyisopropyl)aniline. With the CAS registry number of 722-92-9, its appearance is light brown crystalline powder. However, this chemical should be stored sealed in the cool and dry plcace, away from oxide.
Other characteristics of the 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.72; (6)ACD/BCF (pH 7.4): 46.63; (7)ACD/KOC (pH 5.5): 544.74; (8)ACD/KOC (pH 7.4): 543.66; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 46.69 cm3; (15)Molar Volume: 172.1 cm3; (16)Polarizability: 18.51×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.505 g/cm3; (19)Flash Point: 130.9 °C; (20)Enthalpy of Vaporization: 56.23 kJ/mol; (21)Boiling Point: 292.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000814 mmHg at 25°C.
Production method of this chemical: The 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol could be obtained by the reactant of aniline and 1,1,1,3,3,3-hexafluoro-propan-2-one. This reaction needs the solvent of nitromethane. The yield is 55 %. In addition, this reaction should be taken for 24 hours at the temperature of 60 °C.
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Uses of this chemical: The bis[2-(4-aminophenyl)hexafluoro-propyl] hexafluoroglutarate could be obtained by the reactants of hexafluoro-pentanedioic acid and 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol. This reaction needs the reagent of dicyclohexylcarbodiimide, and the solvent of CH2Cl2. The yield is 51 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)C(O)(c1ccc(N)cc1)C(F)(F)F
2.InChI: InChI=1/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,17H,16H2
3.InChIKey: TZEJXCIGVMTMDY-UHFFFAOYAA