[1,1'-Biphenyl]-4-amine,4'-(trifluoromethyl)- supplier

Name
4'-TRIFLUOROMETHYL-BIPHENYL-4-YLAMINE
EINECS
CAS No. 57688-34-3
Article Data23
CAS DataBase
Density 1.245g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀F₃N
Boiling Point 303.1 °C at 760 mmHg
Molecular Weight 237.224
Flash Point 134.6 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Amino-4'-(trifluoromethyl)-1,1'-biphenyl;4-Amino-4'-(trifluoromethyl)biphenyl;4'-Trifluoromethyl-4-aminobiphenyl;[4'-(Trifluoromethyl)biphenyl-4-yl]amine;
PSA 26.02000
LogP 4.53580

[1,1'-Biphenyl]-4-amine,4'-(trifluoromethyl)- 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

Product Name

4'-TRIFLUOROMETHYL-BIPHENYL-4-YLAMINE

[1,1'-Biphenyl]-4-amine,4'-(trifluoromethyl)- Specification

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