5-[2-(4'-Methylbiphenyl)]tetrazole supplier

Name
5-[2-(4'-METHYLBIPHENYL)]TETRAZOLE
EINECS 1592732-453-0
CAS No. 120568-11-8
Article Data53
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point 150 °C
Formula C₁₄H₁₂N₄
Boiling Point 458.396 °C at 760 mmHg
Molecular Weight 236.276
Flash Point 214.529 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole;5-(4'-Methyl-2-biphenyl)tetrazole;5-(4'-Methylbiphenyl-2-yl)tetrazole;1H-Tetrazole,5-(4'-methyl[1,1'-biphenyl]-2-yl)- (9CI);2-(Tetrazol-5-yl)-4'-methyl-1,1'-biphenyl;L 158507;5-[2-(4'-Methylbiphenyl)]tetrazole;
PSA 54.46000
LogP 2.84210

5-[2-(4'-Methylbiphenyl)]tetrazole Specification

The 2H-Tetrazole, 5-(4'-methyl[1, 1'-biphenyl]-2-yl)-, with the CAS registry number of 120568-11-8, is also known as 5-(4'-Methyl-2-biphenyl)tetrazole. This chemical's molecular formula is C₁₄H₁₂N₄ and molecular weight is 236.277. What's more, its systematic name is called 5-(4'-Methylbiphenyl-2-yl)-2H-tetrazole.

Physical properties about 2H-Tetrazole, 5-(4'-methyl[1, 1'-biphenyl]-2-yl)- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 95; (8)ACD/KOC (pH 7.4): 16; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.46 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 68.969 cm³; (15)Molar Volume: 194.272 cm³; (16)Surface Tension: 56.95 dyne/cm; (17)Density: 1.216 g/cm³; (18)Flash Point: 214.529 °C; (19)Enthalpy of Vaporization: 71.87 kJ/mol; (20)Boiling Point: 458.396 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nnnc1c2c(cccc2)c3ccc(cc3)C
(2) InChI: InChI=1/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
(3) InChIKey: VWOJMXKARYCRCC-UHFFFAOYAY

Product Name

5-[2-(4'-METHYLBIPHENYL)]TETRAZOLE

5-[2-(4'-Methylbiphenyl)]tetrazole Specification

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