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| CAS No.: | 4127-63-3 |
|---|---|
| Name: | 4-Amino-2,3,5,6-tetrafluorotoluene |
| Molecular Structure: | |
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| Formula: | C7H5F4N |
| Molecular Weight: | 179.117 |
| Synonyms: | p-Toluidine,2,3,5,6-tetrafluoro- (7CI,8CI);2,3,5,6-Tetrafluoro-p-toluidine;2,3,5,6-Tetrafluoro-4-methylaniline;4-Amino-2,3,5,6-tetrafluorotoluene; |
| Density: | 1.435 g/cm3 |
| Boiling Point: | 180.293 °C at 760 mmHg |
| Flash Point: | 74.692 °C |
| PSA: | 26.02000 |
| LogP: | 2.71480 |
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Specification
The Benzenamine,2,3,5,6-tetrafluoro-4-methyl-, with the CAS registry number 4127-63-3, is also known as 4-Amino-2,3,5,6-tetrafluorotoluene. This chemical's molecular formula is C7H5F4N and molecular weight is 179.11. What's more, its systematic name is 2,3,5,6-tetrafluoro-4-methylaniline.
Physical properties of Benzenamine,2,3,5,6-tetrafluoro-4-methyl- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112; (6)ACD/BCF (pH 7.4): 112; (7)ACD/KOC (pH 5.5): 1021; (8)ACD/KOC (pH 7.4): 1021; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 35.289 cm3; (15)Molar Volume: 124.828 cm3; (16)Polarizability: 13.99×10-24cm3; (17)Surface Tension: 33.029 dyne/cm; (18)Density: 1.435 g/cm3; (19)Flash Point: 74.692 °C; (20)Enthalpy of Vaporization: 41.656 kJ/mol; (21)Boiling Point: 180.293 °C at 760 mmHg; (22)Vapour Pressure: 0.902 mmHg at 25°C.
Uses of Benzenamine,2,3,5,6-tetrafluoro-4-methyl-: it can be used to produce N-chloroiminotetrafluoro-4-methyl-4-chloro-2,5-cyclohexadiene at the temperature of 0 °C. This reaction will need reagent (CH3)3COCl with the reaction time of 2 hours. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C(=C1F)F)N)F)F
(2)InChI: InChI=1S/C7H5F4N/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H2,1H3
(3)InChIKey: CQJIBKOEKYHHCC-UHFFFAOYSA-N