5H-Tetrazole-5-thione,1-(3,4-dichlorophenyl)-1,2-dihydro- supplier

Name
1-(3,4-DICHLOROPHENYL)-5-MERCAPTO-1H-TETRAZOLE
EINECS 264-414-5
CAS No. 63684-99-1
Article Data1
CAS DataBase
Density 1.75 g/cm³
Solubility
Melting Point 148-150 °C
Formula C₇H₄Cl₂N₄S
Boiling Point 339.6 °C at 760 mmHg
Molecular Weight 247.108
Flash Point 159.2 °C
Transport Information
Appearance white to slight-yellowish fibrous crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols F
Synonyms 1-(3,4-Dichlorophenyl)-1H-tetrazole-5-thiol;
PSA 82.40000
LogP 2.25780

5H-Tetrazole-5-thione,1-(3,4-dichlorophenyl)-1,2-dihydro- Specification

The 5H-Tetrazole-5-thione, 1-(3, 4-dichlorophenyl)-1, 2-dihydro-, with the CAS registry number 63684-99-1, is also known as 1-(3, 4-Dichlorophenyl)-1H-tetrazole-5-thiol. Its EINECS registry number is 264-414-5. This chemical's molecular formula is C₇H₄Cl₂N₄S and molecular weight is 247.1. What's more, its IUPAC name is 1-(3, 4-Dichlorophenyl)-2H-tetrazole-5-thione. In addition, it must be stored in airtight containers and placed in a dry, cool place at 2-10 °C. Meanwhile, it should be kept away from oxidant, light, heat, ignition source, electrostatic charge.

Physical properties about 5H-Tetrazole-5-thione, 1-(3, 4-dichlorophenyl)-1, 2-dihydro- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 206.09; (8)ACD/KOC (pH 7.4): 206.09; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.29 Å²; (13)Index of Refraction: 1.787; (14)Molar Refractivity: 59.34 cm³; (15)Molar Volume: 140.4 cm³; (16)Polarizability: 23.52×10^-24 cm³; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.75 g/cm³; (19)Flash Point: 159.2 °C; (20)Enthalpy of Vaporization: 58.31 kJ/mol; (21)Boiling Point: 339.6 °C at 760 mmHg; (22)Vapour Pressure: 9.1E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2/N=N\NN2c1cc(Cl)c(Cl)cc1
(2) InChI: InChI=1/C7H4Cl2N4S/c8-5-2-1-4(3-6(5)9)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)
(3) InChIKey: CAFFRONNGPFZKV-UHFFFAOYAO

Product Name

1-(3,4-DICHLOROPHENYL)-5-MERCAPTO-1H-TETRAZOLE

5H-Tetrazole-5-thione,1-(3,4-dichlorophenyl)-1,2-dihydro- Specification

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