1-Propyl-1,2,4-triazole supplier

Name
1-Propyl-1,2,4-triazole
EINECS
CAS No. 89417-77-6
Article Data10
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₅H₉N₃
Boiling Point 203.9 °C at 760 mmHg
Molecular Weight 111.15
Flash Point 77.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propyl-1H-1,2,4-triazole;1H-1,2,4-Triazole, 1-propyl-;
PSA 30.71000
LogP 0.68810

1-Propyl-1,2,4-triazole Specification

The 1-Propyl-1,2,4-triazole, with the CAS registry number 89417-77-6, is also known as 1H-1,2,4-Triazole, 1-propyl-. This chemical's molecular formula is C₅H₉N₃ and molecular weight is 111.15. What's more, its systematic name is 1-propyl-1H-1,2,4-triazole.

Physical properties of 1-Propyl-1,2,4-triazole are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 30.32; (6)ACD/KOC (pH 7.4): 30.67; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 30.71 Å²; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 32.91 cm³; (13)Molar Volume: 103.4 cm³; (14)Surface Tension: 39 dyne/cm; (15)Density: 1.07 g/cm³; (16)Flash Point: 77.1 °C; (17)Enthalpy of Vaporization: 44.02 kJ/mol; (18)Boiling Point: 203.9 °C at 760 mmHg; (19)Vapour Pressure: 0.27 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCn1cncn1
(2)InChI: InChI=1S/C5H9N3/c1-2-3-8-5-6-4-7-8/h4-5H,2-3H2,1H3
(3)InChIKey: CUOVNMDNRAZFDH-UHFFFAOYSA-N

Product Name

1-Propyl-1,2,4-triazole

1-Propyl-1,2,4-triazole Specification

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