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CAS No.: | 188890-63-3 |
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Name: | 5-(2,6-DIFLUOROPHENYL)TETRAZOLE |
Molecular Structure: | |
Formula: | C7H4F2N4 |
Molecular Weight: | 182.13 |
Synonyms: | 1H-Tetrazole,5-(2,6-difluorophenyl)- (9CI); |
Density: | 1.503 g/cm3 |
Melting Point: | 69-71 °C |
Boiling Point: | 322.9 °C at 760 mmHg |
Flash Point: | 149.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 54.46000 |
LogP: | 1.14490 |
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The 2H-Tetrazole,5-(2,6-difluorophenyl)-, with the CAS registry number 188890-63-3, is also known as 1H-Tetrazole,5-(2,6-difluorophenyl)- (9CI). This chemical's molecular formula is C7H4F2N4 and molecular weight is 182.13. What's more, its systematic name is 5-(2,6-Difluorophenyl)-2H-tetrazole. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about 2H-Tetrazole,5-(2,6-difluorophenyl)-: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 43.6 Å2; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 39.53 cm3; (13)Molar Volume: 121.1 cm3; (14)Surface Tension: 59.8 dyne/cm; (15)Density: 1.503 g/cm3; (16)Flash Point: 149.1 °C; (17)Enthalpy of Vaporization: 56.48 kJ/mol; (18)Boiling Point: 322.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000271 mmHg at 25 °C; (22)Melting point: 69-71 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(F)ccc1)c2nnnn2
(2) InChI: InChI=1/C7H4F2N4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
(3) InChIKey: XKBCVVLRUDRWND-UHFFFAOYAB