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Benzenamine,4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)- (83766-52-3)

Identification
Name:Benzenamine,4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-
Synonyms:Benzenamine,4-(heptadecafluorooctyl)- (9CI);4-(Heptadecafluorooctyl)aniline;4-(Perfluorooctyl)aniline;
CAS:83766-52-3
Molecular Formula: C14H6F17N
Molecular Weight: 511.18
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
Molecular Structure: (C14H6F17N) Benzenamine,4-(heptadecafluorooctyl)- (9CI);4-(Heptadecafluorooctyl)aniline;4-(Perfluorooctyl)anilin...
Properties
Density:1.61 g/cm3
Refractive index:1.359
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

Safety Data
Hazard Symbols Xi: Irritant
 

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