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2,2-Bis(3-aminophenyl)hexafluoropropane

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Name

2,2-Bis(3-aminophenyl)hexafluoropropane

EINECS N/A
CAS No. 47250-53-3 Density 1.392 g/cm3
PSA 52.04000 LogP 5.42410
Solubility N/A Melting Point 86 °C
Formula C15H12F6N2 Boiling Point 348.5 °C at 760 mmHg
Molecular Weight 334.2596 Flash Point 158.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 47250-53-3 (2,2-Bis(3-aminophenyl)hexafluoropropane) Hazard Symbols IrritantXi
Synonyms

3,3'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dianiline;

 

2,2-Bis(3-aminophenyl)hexafluoropropane Specification

The 2,2-Bis(3-aminophenyl)hexafluoropropane, with the CAS registry number 47250-53-3, is also known as 3,3'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dianiline. It belongs to the product categories of Bisphenol AF type Compounds (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. This chemical's molecular formula is C15H12F6N2 and molecular weight is 334.2596. What's more, its IUPAC name is 3-[2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, it should be sealed up and stored in condition of cold and dry.

Physical properties about 2,2-Bis(3-aminophenyl)hexafluoropropane are: (1)ACD/LogP: 1.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 11.91; (6)ACD/BCF (pH 7.4): 12.09; (7)ACD/KOC (pH 5.5): 204.15; (8)ACD/KOC (pH 7.4): 207.17; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 73.79 cm3; (15)Molar Volume: 240 cm3; (16)Polarizability: 29.25×10-24 cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 158.2 °C; (20)Enthalpy of Vaporization: 59.29 kJ/mol; (21)Boiling Point: 348.5 °C at 760 mmHg; (22)Vapour Pressure: 5E-05 mmHg at 25 °C; (23) Melting Point: 86 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(c1cc(N)ccc1)(c2cccc(N)c2)C(F)(F)F
(2) InChI: InChI=1/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10/h1-8H,22-23H2
(3) InChIKey: UVUCUHVQYAPMEU-UHFFFAOYAL

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