3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine supplier

Name
3-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
EINECS
CAS No. 80980-09-2
Article Data3
CAS DataBase
Density 1.248g/cm3
Solubility
Melting Point
Formula C13H10 N4
Boiling Point 472.7oC at 760 mmHg
Molecular Weight 222.24500
Flash Point 226.2oC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyridine,3-(5-phenyl-1H-1,2,4-triazol-3-yl)- (9CI)
PSA 54.46000
LogP 2.53370

3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine Chemical Properties

Molecular Structure of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS NO.80980-09-2):

IUPAC Name: 3-(5-Phenyl-1H-1,2,4-triazol-3-yl)pyridine
Molecular Formula: C₁₃H₁₀N₄
Molecular Weight: 222.24
Mol File: 80980-09-2.mol
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 222.090546
MonoIsotopic Mass: 222.090546
Topological Polar Surface Area: 54.5
Heavy Atom Count: 17
Complexity: 240
Index of Refraction: 1.64
Molar Refractivity: 64.14 cm³
Molar Volume: 177.9 cm³
Surface Tension: 60.3 dyne/cm
Density: 1.248 g/cm³
Flash Point: 226.2 °C
Enthalpy of Vaporization: 73.56 kJ/mol
Boiling Point: 472.7 °C at 760 mmHg
Vapour Pressure: 4.2E-09 mmHg at 25 °C
Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NN2)C3=CN=CC=C3
InChI: InChI=1S/C13H10N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h1-9H,(H,15,16,17)
InChIKey: LYJGTNPLWZSTJL-UHFFFAOYSA-N

3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine Specification

3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS NO.80980-09-2), its Synonyms are Pyridine,3-(3-phenyl-1H-1,2,4-triazol-5-yl)- ; Pyridine,3-(5-phenyl-1H-1,2,4-triazol-3-yl)- (9CI) ; 3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine .

Product Name

3-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE

3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine Chemical Properties

3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine Specification

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