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57688-34-3

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Basic Information
CAS No.: 57688-34-3
Name: 4'-TRIFLUOROMETHYL-BIPHENYL-4-YLAMINE
Article Data: 23
Molecular Structure:
Molecular Structure of 57688-34-3 (4'-TRIFLUOROMETHYL-BIPHENYL-4-YLAMINE)
Formula: C13H10F3N
Molecular Weight: 237.224
Synonyms: 4-Amino-4'-(trifluoromethyl)-1,1'-biphenyl;4-Amino-4'-(trifluoromethyl)biphenyl;4'-Trifluoromethyl-4-aminobiphenyl;[4'-(Trifluoromethyl)biphenyl-4-yl]amine;
Density: 1.245g/cm3
Boiling Point: 303.1 °C at 760 mmHg
Flash Point: 134.6 °C
Hazard Symbols: Xn
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 26.02000
LogP: 4.53580
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Specification

The [1,1'-Biphenyl]-4-amine,4'-(trifluoromethyl)-, with CAS registry number 57688-34-3, has the systematic name of 4'-(trifluoromethyl)biphenyl-4-amine. Besides this, it is also called 4-Amino-4'-trifluoromethyldiphenyl. And the chemical formula of this chemical is C13H10F3N.

Physical properties of [1,1'-Biphenyl]-4-amine,4'-(trifluoromethyl)-: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 398.86; (6)ACD/BCF (pH 7.4): 408.8; (7)ACD/KOC (pH 5.5): 2513.02; (8)ACD/KOC (pH 7.4): 2575.64; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 60.06 cm3; (15)Molar Volume: 190.5 cm3; (16)Polarizability: 23.8×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 134.6 °C; (20)Enthalpy of Vaporization: 54.34 kJ/mol; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00095 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)c2ccc(N)cc2
(2)InChI: InChI=1/C13H10F3N/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8H,17H2
(3)InChIKey: PDKIAMYXBRKPBW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H10F3N/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8H,17H2
(5)Std. InChIKey: PDKIAMYXBRKPBW-UHFFFAOYSA-N