2H-Tetrazole,5-[1,1'-biphenyl]-4-yl- supplier

Name
5-BIPHENYL-4-YL-2H-TETRAZOLE
EINECS
CAS No. 62778-17-0
Density 1.248 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀N₄
Boiling Point 435.3 °C at 760 mmHg
Molecular Weight 222.25
Flash Point 205.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-;
PSA 54.46000
LogP 2.53370

2H-Tetrazole,5-[1,1'-biphenyl]-4-yl- Specification

The 2H-Tetrazole,5-[1,1'-biphenyl]-4-yl-, with the CAS registry number of 62778-17-0, is also known as 1H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-. Its molecular formula is C₁₃H₁₀N₄ and molecular weight is 222.25. What's more, its IUPAC name is 5-(4-Phenylphenyl)-2H-tetrazole.

Physical properties about the 2H-Tetrazole,5-[1,1'-biphenyl]-4-yl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 59.04; (6)ACD/BCF (pH 7.4): 5.62; (7)ACD/KOC (pH 5.5): 354.42; (8)ACD/KOC (pH 7.4): 33.72; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 64.14 cm³; (15)Molar Volume: 177.9 cm³; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.248 g/cm³; (18)Flash Point: 205.2 °C; (19)Enthalpy of Vaporization: 69.15 kJ/mol; (20)Boiling Point: 435.3 °C at 760 mmHg; (21)Vapour Pressure: 8.87E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nnnc1c3ccc(c2ccccc2)cc3
(2) InChI: InChI=1/C13H10N4/c1-2-4-10(5-3-1)11-6-8-12(9-7-11)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
(3) InChIKey: CMPDXBXNGAEVNY-UHFFFAOYAH

Product Name

5-BIPHENYL-4-YL-2H-TETRAZOLE

2H-Tetrazole,5-[1,1'-biphenyl]-4-yl- Specification

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