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4-Perfluorooctylaniline

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Name

4-Perfluorooctylaniline

EINECS N/A
CAS No. 83766-52-3 Density 1.61 g/cm3
PSA 12.03000 LogP 7.13840
Solubility N/A Melting Point 40-45 °C
Formula C14H6F17N Boiling Point 272.1 °C at 760 mmHg
Molecular Weight 511.181 Flash Point 121 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 83766-52-3 (4-(HEPTADECAFLUOROOCTYL)ANILINE) Hazard Symbols
Synonyms

Benzenamine,4-(heptadecafluorooctyl)- (9CI);4-(Heptadecafluorooctyl)aniline;4-(Perfluorooctyl)aniline;

Article Data 13

4-Perfluorooctylaniline Specification

 The 4-Perfluorooctylaniline with its cas register number is 83766-52-3. It also can be called as 4-(Heptadecafluorooctyl)aniline and the Systematic name about this chemical is 4-(heptadecafluorooctyl)aniline. It belongs to the Naphthyridine,Quinoline. This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about 4-Perfluorooctylaniline are: (1)ACD/LogP: 7.97; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 3.24Å2; (7)Index of Refraction: 1.359; (8)Molar Refractivity: 69.95 cm3; (9)Molar Volume: 317.3 cm3; (10)Polarizability: 27.73x10-24cm3; (11)Surface Tension: 19.5 dyne/cm; (12)Enthalpy of Vaporization: 51.04 kJ/mol; (13)Vapour Pressure: 0.00621 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(c1ccc(N)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C14H6F17N/c15-7(16,5-1-3-6(32)4-2-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2
(3)InChIKey: ZQTZVMUNYIDMJV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C14H6F17N/c15-7(16,5-1-3-6(32)4-2-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2
(5)Std. InChIKey: ZQTZVMUNYIDMJV-UHFFFAOYSA-N

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