Benzenamine, N,N-bis(trifluoromethyl)- supplier

Name
Bis(Trifluoromethyl) Aniline
EINECS
CAS No. 3700-19-4
Article Data6
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point
Formula C₈H₅F₆N
Boiling Point 112.3 °C at 760 mmHg
Molecular Weight 229.125
Flash Point 21.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aniline,N,N-bis(trifluoromethyl)-(7CI,8CI);N,N-Bis(trifluoromethyl)aniline;
PSA 3.24000
LogP 3.53260

Benzenamine, N,N-bis(trifluoromethyl)- Specification

The Benzenamine, N,N-bis(trifluoromethyl)-, with the CAS registry number 3700-19-4, has the systematic name and IUPAC name of N,N-bis(trifluoromethyl)aniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₅F₆N.

The characteristics of Benzenamine, N,N-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1103.76; (6)ACD/BCF (pH 7.4): 1103.76; (7)ACD/KOC (pH 5.5): 5244.31; (8)ACD/KOC (pH 7.4): 5244.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 41.48 cm³; (15)Molar Volume: 160.2 cm³; (16)Polarizability: 16.44×10^-24cm³; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 1.43 g/cm³; (19)Flash Point: 21.7 °C; (20)Enthalpy of Vaporization: 35.08 kJ/mol; (21)Boiling Point: 112.3 °C at 760 mmHg; (22)Vapour Pressure: 21.9 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)N(c1ccccc1)C(F)(F)F
(2)InChI: InChI=1/C8H5F6N/c9-7(10,11)15(8(12,13)14)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: JBGNFLUETJDDBA-UHFFFAOYAZ

Product Name

Bis(Trifluoromethyl) Aniline

Benzenamine, N,N-bis(trifluoromethyl)- Specification

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