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| CAS No.: | 307-29-9 |
|---|---|
| Name: | 1H,1H-Perfluorooctylamine |
| Molecular Structure: | |
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| Formula: | C8H4F15N |
| Molecular Weight: | 399.103 |
| Synonyms: | Octylamine,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- (7CI,8CI);(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)amine;1,1-Dihydroperfluorooctylamine; |
| EINECS: | -0 |
| Density: | 1.62 g/cm3 |
| Melting Point: | 240-245 °C (decomp) |
| Boiling Point: | 153.1 °C at 760 mmHg |
| Flash Point: | 57.4 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 5.01950 |
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Specification
The 1H,1H-Perfluorooctylamine, with the CAS registry number 307-29-9, is also known as 1-Octanamine, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- and 1H,1H-Pentadecafluorooctylamine. This chemical's molecular formula is C8H4F15N and formula weight is 399.10. What's more, both its IUPAC name and systematic name are the same which is called 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctan-1-amine.
Physical properties about this chemical are: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 4404.96; (6)ACD/BCF (pH 7.4): 19204.16; (7)ACD/KOC (pH 5.5): 9178.42; (8)ACD/KOC (pH 7.4): 40014.88; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.291; (14)Molar Refractivity: 44.86 cm3; (15)Molar Volume: 246.3 cm3; (16)Surface Tension: 15.3 dyne/cm; (17)Density: 1.62 g/cm3; (18)Flash Point: 57.4 °C; (19)Enthalpy of Vaporization: 38.99 kJ/mol; (20)Boiling Point: 153.1 °C at 760 mmHg; (21)Vapour Pressure: 3.39 mmHg at 25°C.
Uses of 1H,1H-Perfluorooctylamine: it can be used to produce (4,6-Dichloro-[1,3,5]triazin-2-yl)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octyl)-amine at temperature of 0 - 5 °C. This reaction will need reagent aq. NaHCO3 and solvent CHCl3 acid with reaction time of 1 hours. The yield is about 84%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It irritates to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)CN
(2)InChI: InChI=1/C8H4F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24H2
(3)InChIKey: HZCZXRSVKNFILZ-UHFFFAOYAJ