1H-1,2,4-Triazole-1-propanoicacid, methyl ester supplier

Name
METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE
EINECS
CAS No. 106535-19-7
Article Data6
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₆H₉N₃O₂
Boiling Point 290.1 °C at 760 mmHg
Molecular Weight 155.156
Flash Point 129.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-(1,2,4-triazol-1-yl)propanoate;3-[1,2,4]Triazol-1-yl-propionic acid methyl ester;
PSA 57.01000
LogP -0.15880

1H-1,2,4-Triazole-1-propanoicacid, methyl ester Specification

The 1H-1,2,4-Triazole-1-propanoicacid, methyl ester, with the CAS registry number 106535-19-7, is also known as 3-[1,2,4]Triazol-1-yl-propionic acid methyl ester. This chemical's molecular formula is C₆H₉N₃O₂ and molecular weight is 155.15. What's more, its systematic name is methyl 3-(1,2,4-triazol-1-yl)propanoate.

Physical properties of 1H-1,2,4-Triazole-1-propanoicacid, methyl ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 57.01 Å²; (5)Index of Refraction: 1.556; (6)Molar Refractivity: 39.76 cm³; (7)Molar Volume: 123.6 cm³; (8)Polarizability: 15.76×10^-24cm³; (9)Surface Tension: 46 dyne/cm; (10)Density: 1.25 g/cm³; (11)Flash Point: 129.2 °C; (12)Enthalpy of Vaporization: 52.94 kJ/mol; (13)Boiling Point: 290.1 °C at 760 mmHg; (14)Vapour Pressure: 0.00212 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCn1cncn1)OC
(2)InChI: InChI=1S/C6H9N3O2/c1-11-6(10)2-3-9-5-7-4-8-9/h4-5H,2-3H2,1H3
(3)InChIKey: PVTDBXDIDCTVFV-UHFFFAOYSA-N

Product Name

METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE

1H-1,2,4-Triazole-1-propanoicacid, methyl ester Specification

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