2,6-Bis(trifluoromethyl)aniline supplier

Name
2,6-BIS(TRIFLUOROMETHYL)ANILINE
EINECS
CAS No. 313-13-3
Density 1.443 g/cm³
Solubility
Melting Point
Formula C₈H₅F₆N
Boiling Point 171.6 °C at 760 mmHg
Molecular Weight 229.125
Flash Point 67.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Xylidine,a,a,a,a',a',a'-hexafluoro- (8CI);
PSA 26.02000
LogP 3.88760

2,6-Bis(trifluoromethyl)aniline Specification

The CAS register number of Benzenamine,2,6-bis(trifluoromethyl)- is 313-13-3. It also can be called as 3,4-Difluorobenzoylchloride and the systematic name about this chemical is 2,6-bis(trifluoromethyl)aniline. The molecular formula about this chemical is C₈H₅F₆N and the molecular weight is 229.1224.

Physical properties about Benzenamine,2,6-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 4.16; (3)ACD/LogD (pH 7.4): 4.16; (4)ACD/BCF (pH 5.5): 859.89; (5)ACD/BCF (pH 7.4): 859.89; (6)ACD/KOC (pH 5.5): 4386.08; (7)ACD/KOC (pH 7.4): 4386.08; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24Å²; (12)Index of Refraction: 1.423; (13)Molar Refractivity: 40.44 cm³; (14)Molar Volume: 158.7 cm³; (15)Polarizability: 16.03x10^-24cm³; (16)Surface Tension: 22.9 dyne/cm; (17)Flash Point: 67.9 °C; (18)Enthalpy of Vaporization: 40.8 kJ/mol; (19)Boiling Point: 171.6 °C at 760 mmHg; (20)Vapour Pressure: 1.39 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1N)C(F)(F)F
(2)InChI: InChI=1/C8H5F6N/c9-7(10,11)4-2-1-3-5(6(4)15)8(12,13)14/h1-3H,15H2
(3)InChIKey: KEYVECAMLDRXSJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H5F6N/c9-7(10,11)4-2-1-3-5(6(4)15)8(12,13)14/h1-3H,15H2
(5)Std. InChIKey: KEYVECAMLDRXSJ-UHFFFAOYSA-N

Product Name

2,6-BIS(TRIFLUOROMETHYL)ANILINE

2,6-Bis(trifluoromethyl)aniline Specification

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