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1H,1H-Perfluorooctylamine

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Name

1H,1H-Perfluorooctylamine

EINECS -0
CAS No. 307-29-9 Density 1.62 g/cm3
PSA 26.02000 LogP 5.01950
Solubility Not miscible or difficult to mix in water. Melting Point 240-245 °C (decomp)
Formula C8H4F15N Boiling Point 153.1 °C at 760 mmHg
Molecular Weight 399.103 Flash Point 57.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 307-29-9 (1H,1H-Perfluorooctylamine) Hazard Symbols CorrosiveC
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;

 

1H,1H-Perfluorooctylamine 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%.


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

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