3-(o-Ethylphenyl)-5-piperonyl-s-triazole supplier

Name
3-(2-Ethylphenyl)-5-piperonyl-1H-1,2,4-triazole
EINECS
CAS No. 85303-87-3
Article Data1
CAS DataBase
Density 1.282 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₅N₃O₂
Boiling Point 515.7 °C at 760 mmHg
Molecular Weight 293.325
Flash Point 182.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazole, 5-(1,3-benzodioxol-5-yl)-3-(2-ethylphenyl)-;3-benzo[1,3]dioxol-5-yl-5-(2-ethylphenyl)-1H-1,2,4-triazole;1H-1,2,4-Triazole, 3-(1,3-benzodioxol-5-yl)-5-(2-ethylphenyl)-;5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole;s-Triazole, 3-(o-ethylphenyl)-5-piperonyl-;
PSA 60.03000
LogP 3.42980

3-(o-Ethylphenyl)-5-piperonyl-s-triazole Specification

This chemical is called 3-(o-Ethylphenyl)-5-piperonyl-s-triazole, and its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(2-ethylphenyl)-1H-1,2,4-triazole. With the molecular formula of C₁₇H₁₅N₃O₂, its molecular weight is 293.32. The CAS registry number of this chemical is 85303-87-3, and its classification code is Reproductive Effect.

Other characteristics of the 3-(o-Ethylphenyl)-5-piperonyl-s-triazole can be summarised as followings: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3741.93; (6)ACD/BCF (pH 7.4): 3682.44; (7)ACD/KOC (pH 5.5): 12563.98; (8)ACD/KOC (pH 7.4): 12364.22; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.17 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 81.76 cm³; (15)Molar Volume: 228.7 cm³; (16)Polarizability: 32.41×10^-24cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 182.4 °C; (20)Enthalpy of Vaporization: 78.77 kJ/mol; (21)Boiling Point: 515.7 °C at 760 mmHg; (22)Vapour Pressure: 9.6E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O1c2ccc(cc2OC1)c4nc(c3ccccc3CC)nn4
2.InChI: InChI=1/C17H15N3O2/c1-2-11-5-3-4-6-13(11)17-18-16(19-20-17)12-7-8-14-15(9-12)22-10-21-14/h3-9H,2,10H2,1H3,(H,18,19,20) 3.InChIKey: ANQNTFMVOLLZJK-UHFFFAOYAK

Product Name

3-(2-Ethylphenyl)-5-piperonyl-1H-1,2,4-triazole

3-(o-Ethylphenyl)-5-piperonyl-s-triazole Specification

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