5-(2,6-DICHLOROPHENYL)-1H-TETRAZOLE

The 5-(2,6-Dichlorophenyl)-2H-tetrazole with CAS registry number of 50907-31-8 is also known as 1H-Tetrazole, 5-(2,6-dichlorophenyl)-. The systematic name and product name are the same. In addition, the formula is C₇H₄Cl₂N₄ and the molecular weight is 215.04.

Physical properties about 5-(2,6-Dichlorophenyl)-2H-tetrazole are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.01; (8)ACD/KOC (pH 7.4): 2.96; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6Ų; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 49.34 cm³; (15)Molar Volume: 136.6 cm³; (16)Polarizability: 19.56×10^-24cm³; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.574 g/cm³; (19)Flash Point: 227.9 °C; (20)Enthalpy of Vaporization: 65.07 kJ/mol; (21)Boiling Point: 399.9 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. After usint it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Clc1c(c(Cl)ccc1)c2nnnn2
2. InChI: InChI=1/C7H4Cl2N4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
3. InChIKey: RLXQNTWJPTUTCL-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C7H4Cl2N4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
5. Std. InChIKey: RLXQNTWJPTUTCL-UHFFFAOYSA-N