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| CAS No.: | 89992-50-7 |
|---|---|
| Name: | 2,3,5,6-Tetrafluoro-1,4-benzenedimethanamine |
| Molecular Structure: | |
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| Formula: | C8H8F4N2 |
| Molecular Weight: | 208.1561 |
| Synonyms: | 1,4-Bis(aminomethyl)-2,3,5,6-tetrafluorobenzene;(2,3,5,6-tetrafluorobenzene-1,4-diyl)dimethanamine;[4-(aminomethyl)-2,3,5,6-tetrafluorophenyl]methanamine;1,4-benzenedimethanamine, 2,3,5,6-tetrafluoro-;Tfx diamine;Tetrafluoro-p-xylylenediamine; |
| Density: | 1.423 g/cm3 |
| Boiling Point: | 226.7 °C at 760 mmHg |
| Flash Point: | 97.6 °C |
| Appearance: | white crystals |
| PSA: | 52.04000 |
| LogP: | 2.56100 |
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- Total:38 Page 1 of 1 1
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Specification
The 2,3,5,6-Tetrafluoro-1,4-benzenedimethanamine, with the CAS registry number 89992-50-7, has the systematic name of (2,3,5,6-tetrafluorobenzene-1,4-diyl)dimethanamine. It is also called [4-(aminomethyl)-2,3,5,6-tetrafluorophenyl]methanamine. And the molecular formula of the chemical is C8H8F4N2.
The characteristics of 2,3,5,6-Tetrafluoro-1,4-benzenedimethanamine are as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.77; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.61; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 43.13 cm3; (15)Molar Volume: 146.2 cm3; (16)Polarizability: 17.09×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.423 g/cm3; (19)Flash Point: 97.6 °C; (20)Enthalpy of Vaporization: 46.32 kJ/mol; (21)Boiling Point: 226.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0808 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(c1F)CN)CN
(2)InChI: InChI=1/C8H8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2,13-14H2
(3)InChIKey: SLOZZSUAGFSGIC-UHFFFAOYAL