CAS No.57946-61-9,4-(2,2,2-Trifluoroethoxy)aniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57946-61-9
Name:	4-(2,2,2-Trifluoroethoxy)aniline
Article Data:	19

Formula:	C₈H₈F₃NO
Molecular Weight:	191.153
Synonyms:	Benzenamine, 4-(2,2,2-trifluoroethoxy)-;
Density:	1.286 g/cm³
Boiling Point:	227.3 °C at 760 mmHg
Flash Point:	91.3 °C
PSA:	35.25000
LogP:	2.79110

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Specification

The 4-(2,2,2-Trifluoroethoxy)aniline, with the CAS registry number 57946-61-9, is also known as Benzenamine, 4-(2,2,2-trifluoroethoxy)-. This chemical's molecular formula is C₈H₈F₃NO and molecular weight is 191.15. What's more, its systematic name is called 4-(2,2,2-Trifluoroethoxy)aniline.

Physical properties about 4-(2,2,2-Trifluoroethoxy)aniline are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 9.96; (6)ACD/BCF (pH 7.4): 11.67; (7)ACD/KOC (pH 5.5): 172.28; (8)ACD/KOC (pH 7.4): 201.95; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 42.25 cm³; (15)Molar Volume: 148.6 cm³; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 91.3 °C; (19)Enthalpy of Vaporization: 46.38 kJ/mol; (20)Boiling Point: 227.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0782 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)COc1ccc(cc1)N
(2) InChI: InChI=1/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
(3) InChIKey: OXFDNUZWKFKMSB-UHFFFAOYAW