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188890-63-3

Basic Information
CAS No.: 188890-63-3
Name: 5-(2,6-DIFLUOROPHENYL)TETRAZOLE
Molecular Structure:
Molecular Structure of 188890-63-3 (5-(2,6-DIFLUOROPHENYL)TETRAZOLE)
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: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 54.46000
LogP: 1.14490
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Specification

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