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5-(2,6-Dichlorophenyl)-2H-tetrazole

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Name

5-(2,6-Dichlorophenyl)-2H-tetrazole

EINECS -0
CAS No. 50907-31-8 Density 1.574 g/cm3
PSA 54.46000 LogP 2.17350
Solubility N/A Melting Point 202-204 °C
Formula C7H4Cl2N4 Boiling Point 399.9 °C at 760 mmHg
Molecular Weight 215.042 Flash Point 227.9 °C
Transport Information N/A Appearance N/A
Safety 26-36-36/37/39-27 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 50907-31-8 (5-(2,6-DICHLOROPHENYL)-1H-TETRAZOLE) Hazard Symbols IrritantXi
Synonyms

1H-Tetrazole, 5-(2,6-dichlorophenyl)-;5-(2,6-Dichlorophenyl)-2H-1,2,3,4-tetraazole;

Article Data 6

5-(2,6-Dichlorophenyl)-2H-tetrazole Specification

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: 43.6Å2; (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

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