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2,3,5,6-Ttrafluoro-4-(trifluoromethyl)aniline

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Name

2,3,5,6-Ttrafluoro-4-(trifluoromethyl)aniline

EINECS N/A
CAS No. 651-83-2 Density 1.64 g/cm3
PSA 26.02000 LogP 3.42520
Solubility N/A Melting Point N/A
Formula C7H2F7N Boiling Point 171.7 °C at 760 mmHg
Molecular Weight 233.088 Flash Point 67.9 °C
Transport Information N/A Appearance Clear colourless to light brown liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 651-83-2 (2,3,5,6-TETRAFLUORO-4-AMINOBENZOTRIFLUORIDE) Hazard Symbols IrritantXi
Synonyms

4-Aminotetrafluorobenzotrifluoride;2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride;4-Amino-2,3,5,6-tetrafluorobenzotrifluoride;

Article Data 17

2,3,5,6-Ttrafluoro-4-(trifluoromethyl)aniline Specification

The CAS register number of 2,3,5,6-Ttrafluoro-4-(trifluoromethyl)aniline is 651-83-2. It also can be called as 4-Amino-2,3,5,6-tetrafluorobenzotrifluoride. The molecular formula about this chemical is C7H2F7N and the molecular weight is 233.09.

Physical properties about 2,3,5,6-Ttrafluoro-4-(trifluoromethyl)aniline are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.59; (5)ACD/BCF (pH 7.4): 183.59; (6)ACD/KOC (pH 5.5): 1452.34; (7)ACD/KOC (pH 7.4): 1452.34; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.413; (13)Molar Refractivity: 35.44 cm3; (14)Molar Volume: 142 cm3; (15)Polarizability: 14.05x10-24cm3; (16)Surface Tension: 25.3 dyne/cm; (17)Density: 1.64 g/cm3; (18)Flash Point: 67.9 °C; (19)Enthalpy of Vaporization: 40.81 kJ/mol; (20)Boiling Point: 171.7 °C at 760 mmHg; (21)Vapour Pressure: 1.38 mmHg at 25 °C.

Uses of 2,3,5,6-Ttrafluoro-4-(trifluoromethyl)aniline: it can be used to produce N-(p-trifluoromethyl-tetrafluorophenyl)-p-amino-tetrafluorobenzimidoyl chloride with tetrachloromethane. This reaction will need reagent of AlCl3. The reaction time is 14 hours with ambient temperature. The yield is about 30%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(N)c1F)C(F)(F)F
(2)InChI: InChI=1/C7H2F7N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
(3)InChIKey: FJOACTZFMHZHSC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H2F7N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
(5)Std. InChIKey: FJOACTZFMHZHSC-UHFFFAOYSA-N

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