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CAS No.: | 76471-06-2 |
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Name: | 3-CHLORO-4-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]OXY)ANILINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H7Cl2F3N2O |
Molecular Weight: | 323.102 |
Synonyms: | 3-Chloro-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}aniline; |
Density: | 1.517 g/cm3 |
Melting Point: | 90-92 °C |
Boiling Point: | 353.6 °C at 760 mmHg |
Flash Point: | 167.7 °C |
Hazard Symbols: | Xi |
PSA: | 48.14000 |
LogP: | 5.36290 |
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The Benzenamine,3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-, with the CAS registry number 76471-06-2 , is also known as 3-Chloro-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}aniline. This chemical's molecular formula is C12H7Cl2F3N2O and molecular weight is 323.1. What's more, its IUPAC name is called 3-Chloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenamine,3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.62; (6)ACD/BCF (pH 7.4): 29.69; (7)ACD/KOC (pH 5.5): 393.28; (8)ACD/KOC (pH 7.4): 394.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 69.79 cm3; (15)Molar Volume: 212.9 cm3; (16)Surface Tension: 43.6 dyne/cm; (17) Density: 1.517 g/cm3; (18)Flash Point: 167.7 °C; (19)Enthalpy of Vaporization: 59.85 kJ/mol; (20)Boiling Point: 353.6 °C at 760 mmHg; (21)Vapour Pressure: 3.55E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2cnc(Oc1c(Cl)cc(N)cc1)c(Cl)c2
(2) InChI: InChI=1/C12H7Cl2F3N2O/c13-8-4-7(18)1-2-10(8)20-11-9(14)3-6(5-19-11)12(15,16)17/h1-5H,18H2
(3) InChIKey: MTZUYQAWUPZQOK-UHFFFAOYAV