3-(o-Butylphenyl)-5-phenyl-s-triazole supplier

Name
3-(2-butylphenyl)-5-phenyl-2H-1,2,4-triazole
EINECS
CAS No. 85303-88-4
Article Data1
CAS DataBase
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₉N₃
Boiling Point 481.4 °C at 760 mmHg
Molecular Weight 277.369
Flash Point 216.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazole, 3-(2-butylphenyl)-5-phenyl-;3-(2-Butylphenyl)-5-phenyl-1H-1,2,4-triazole;s-Triazole, 3-(o-butylphenyl)-5-phenyl-;3-(2-butylphenyl)-5-phenyl-2H-1,2,4-triazole;
PSA 41.57000
LogP 4.48130

3-(o-Butylphenyl)-5-phenyl-s-triazole Specification

This chemical is called 3-(o-Butylphenyl)-5-phenyl-s-triazole, and it can also be named as s-Triazole, 3-(o-butylphenyl)-5-phenyl-. With the molecular formula of C₁₈H₁₉N₃, its molecular weight is 277.40. The CAS registry number of this chemical is 85303-88-4, and its classification code is Reproductive Effect. In addition, this chemical is toxic, you should be careful when you use it.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.95; (5)ACD/BCF (pH 5.5): 19763.16; (6)ACD/BCF (pH 7.4): 19555.63; (7)ACD/KOC (pH 5.5): 41349.96; (8)ACD/KOC (pH 7.4): 40915.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 84.86 cm³; (15)Molar Volume: 250.6 cm³; (16)Polarizability: 33.64×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 216.1 °C; (20)Enthalpy of Vaporization: 74.61 kJ/mol; (21)Boiling Point: 481.4 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c(nnc1c2c(cccc2)CCCC)c3ccccc3
2.InChI: InChI=1/C18H19N3/c1-2-3-9-14-10-7-8-13-16(14)18-19-17(20-21-18)15-11-5-4-6-12-15/h4-8,10-13H,2-3,9H2,1H3,(H,19,20,21)
3.InChIKey: NEEHHGCSOUSERQ-UHFFFAOYAT

Product Name

3-(2-butylphenyl)-5-phenyl-2H-1,2,4-triazole

3-(o-Butylphenyl)-5-phenyl-s-triazole Specification

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