[1,1'-Biphenyl]-3-amine,4'-(trifluoromethyl)- supplier

Name
4'-TRIFLUOROMETHYL-BIPHENYL-3-YLAMINE
EINECS
CAS No. 400747-98-0
Article Data13
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀F₃N
Boiling Point 330.9 °C at 760 mmHg
Molecular Weight 237.224
Flash Point 147.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-4'-(trifluoromethyl)-1,1'-biphenyl;[4'-(Trifluoromethyl)biphenyl-3-yl]amine;4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-aminehydrochloride;4'-Trifluoromethyl-biphenyl-3-ylamine;
PSA 26.02000
LogP 4.53580

[1,1'-Biphenyl]-3-amine,4'-(trifluoromethyl)- Specification

This chemical is called [1,1'-Biphenyl]-3-amine,4'-(trifluoromethyl)-, and it can also be named as 4'-Trifluoromethyl-biphenyl-3-ylamine. With the molecular formula of C₁₃H₁₀F₃N, its molecular weight is 237.22. The CAS registry number of this chemical is 400747-98-0, and its systematic name is 4'-(Trifluoromethyl)biphenyl-3-amine.

Other characteristics of the [1,1'-Biphenyl]-3-amine,4'-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 213.38; (6)ACD/BCF (pH 7.4): 220.16; (7)ACD/KOC (pH 5.5): 1602.88; (8)ACD/KOC (pH 7.4): 1653.8; (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: 147.9 °C; (20)Enthalpy of Vaporization: 57.35 kJ/mol; (21)Boiling Point: 330.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000162 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc(cc1)c2cc(N)ccc2
2.InChI: InChI=1/C13H10F3N/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h1-8H,17H2
3.InChIKey: RTSCKIULIJLTHO-UHFFFAOYAA

Product Name

4'-TRIFLUOROMETHYL-BIPHENYL-3-YLAMINE

[1,1'-Biphenyl]-3-amine,4'-(trifluoromethyl)- Specification

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