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CAS No.: | 3700-19-4 |
---|---|
Name: | Bis(Trifluoromethyl) Aniline |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H5F6N |
Molecular Weight: | 229.125 |
Synonyms: | Aniline,N,N-bis(trifluoromethyl)-(7CI,8CI);N,N-Bis(trifluoromethyl)aniline; |
Density: | 1.43 g/cm3 |
Boiling Point: | 112.3 °C at 760 mmHg |
Flash Point: | 21.7 °C |
PSA: | 3.24000 |
LogP: | 3.53260 |
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The Benzenamine, N,N-bis(trifluoromethyl)-, with the CAS registry number 3700-19-4, has the systematic name and IUPAC name of N,N-bis(trifluoromethyl)aniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H5F6N.
The characteristics of Benzenamine, N,N-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1103.76; (6)ACD/BCF (pH 7.4): 1103.76; (7)ACD/KOC (pH 5.5): 5244.31; (8)ACD/KOC (pH 7.4): 5244.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 41.48 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 16.44×10-24cm3; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 21.7 °C; (20)Enthalpy of Vaporization: 35.08 kJ/mol; (21)Boiling Point: 112.3 °C at 760 mmHg; (22)Vapour Pressure: 21.9 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)N(c1ccccc1)C(F)(F)F
(2)InChI: InChI=1/C8H5F6N/c9-7(10,11)15(8(12,13)14)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: JBGNFLUETJDDBA-UHFFFAOYAZ