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| CAS No.: | 812-18-0 |
|---|---|
| Name: | 2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C4H8F3N |
| Molecular Weight: | 127.109 |
| Synonyms: | Ethylamine2,2,2-trifluoro-1,1-dimethyl- (7CI);Ethylamine 2,2,2-trifluoro-1,1-dimethyl-,2,2,2-trifluoro-1,1-dimethyl- (8CI);1,1,1-Trifluoro-2-methylpropan-2-amine; |
| Density: | 1.108 g/cm3 |
| Boiling Point: | 81 °C at 760 mmHg |
| Flash Point: | 12.2 °C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 1.98630 |
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Specification
The 2-Propanamine,1,1,1-trifluoro-2-methyl-, with the CAS registry number 812-18-0, has the systematic name of 1,1,1-trifluoro-2-methylpropan-2-amine. And the molecular formula of this chemical is C4H8F3N. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Propanamine,1,1,1-trifluoro-2-methyl- are as following: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 13.66; (8)ACD/KOC (pH 7.4): 72.77; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.347; (14)Molar Refractivity: 24.53 cm3; (15)Molar Volume: 114.6 cm3; (16)Polarizability: 9.72×10-24cm3; (17)Surface Tension: 18.8 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 12.2 °C; (20)Enthalpy of Vaporization: 32.16 kJ/mol; (21)Boiling Point: 81 °C at 760 mmHg; (22)Vapour Pressure: 83.6 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and 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(N)(C)C
(2)InChI: InChI=1/C4H8F3N/c1-3(2,8)4(5,6)7/h8H2,1-2H3
(3)InChIKey: YFBWGBFWVFEGEZ-UHFFFAOYAS