2-Fluoro-3-(trifluoromethoxy)aniline supplier

Name
2-fluoro-3-trifluoromethoxy aniline
EINECS
CAS No. 116369-23-4
Article Data2
CAS DataBase
Density 1.431 g/cm³
Solubility Insoluble in water.
Melting Point
Formula C₇H₅F₄NO
Boiling Point 185.5 °C at 760 mmHg
Molecular Weight 195.116
Flash Point 66 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Amino-4-fluoro(trifluoromethoxy)benzene;benzenamine, 2-fluoro-3-(trifluoromethoxy)-;
PSA 35.25000
LogP 2.88770

2-Fluoro-3-(trifluoromethoxy)aniline Specification

The 2-Fluoro-3-(trifluoromethoxy)aniline, with the CAS registry number 116369-23-4, is also called benzenamine, 2-fluoro-3-(trifluoromethoxy)-. And the molecular formula of the chemical is C₇H₅F₄NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.25 Å²; (9)Index of Refraction: 1.464; (10)Molar Refractivity: 37.61 cm³; (11)Molar Volume: 136.3 cm³; (12)Polarizability: 14.91×10^-24cm³; (13)Surface Tension: 30.5 dyne/cm; (14)Density: 1.431 g/cm³; (15)Flash Point: 66 °C; (16)Enthalpy of Vaporization: 42.17 kJ/mol; (17)Boiling Point: 185.5 °C at 760 mmHg; (18)Vapour Pressure: 0.694 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(c(c1)OC(F)(F)F)F)N
(2)InChI: InChI=1/C7H5F4NO/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H2
(3)InChIKey: LSRVHFQASBQSGA-UHFFFAOYAL

Product Name

2-fluoro-3-trifluoromethoxy aniline

2-Fluoro-3-(trifluoromethoxy)aniline Specification

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