1H-1,2,4-Triazole-5-carboxylicacid, ethyl ester supplier

Name
1H-[1,2,4]Triazole-3-carboxylic acid, ethyl ester
EINECS
CAS No. 64922-04-9
Article Data8
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point 178 °C(Solv: ethanol (64-17-5))
Formula C₅H₇N₃O₂
Boiling Point 288.7 °C at 760 mmHg
Molecular Weight 141.129
Flash Point 128.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazole-3-carboxylicacid, ethyl ester (9CI);s-Triazole-3-carboxylic acid, ethyl ester (7CI);Ethyl 1,2,4-triazole-3-carboxylate;Ethyl 4H-[1,2,4]triazole-3-carboxylate;NSC 80859;Ethyl 1H-1,2,4-Triazole-3-Carboxylate;
PSA 67.87000
LogP -0.01860

1H-1,2,4-Triazole-5-carboxylicacid, ethyl ester Specification

The 1H-1,2,4-Triazole-5-carboxylicacid, ethyl ester, with the CAS registry number 64922-04-9, is also known as Ethyl 1,2,4-triazole-3-carboxylate. It belongs to the product category of Carboxylicester. This chemical's molecular formula is C₅H₇N₃O₂ and molecular weight is 141.13. What's more, its systematic name is ethyl 1H-1,2,4-triazole-5-carboxylate.

Physical properties of 1H-1,2,4-Triazole-5-carboxylicacid, ethyl ester are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20.12; (6)ACD/KOC (pH 7.4): 15.88; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 57.01 Å²; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 33.27 cm³; (13)Molar Volume: 108.6 cm³; (14)Polarizability: 13.19×10^-24cm³; (15)Surface Tension: 58 dyne/cm; (16)Density: 1.299 g/cm³; (17)Flash Point: 128.4 °C; (18)Enthalpy of Vaporization: 52.79 kJ/mol; (19)Boiling Point: 288.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ncnn1
(2)InChI: InChI=1S/C5H7N3O2/c1-2-10-5(9)4-6-3-7-8-4/h3H,2H2,1H3,(H,6,7,8)
(3)InChIKey: DHZYWCBUDKTLGD-UHFFFAOYSA-N

Product Name

1H-[1,2,4]Triazole-3-carboxylic acid, ethyl ester

1H-1,2,4-Triazole-5-carboxylicacid, ethyl ester Specification

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