1H-1,2,3-Triazole-1-acetic aicd ethyl ester supplier

Name
1H-1,2,3-TRIAZOLE-1-ACETIC ACID ETHYL ESTER
EINECS
CAS No. 4314-21-0
Article Data15
CAS DataBase
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₆H₉N₃O₂
Boiling Point 268.9 °C at 760 mmHg
Molecular Weight 155.15
Flash Point 116.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ([1,2,3]Triazol-1-yl)aceticacid ethyl ester;1H-Pentazole-1-acetic acid, ethyl ester;Ethyl 1H-pentazol-1-ylacetate;
PSA 57.01000
LogP -0.15880

1H-1,2,3-Triazole-1-acetic aicd ethyl ester Specification

The 1H-1,2,3-Triazole-1-acetic aicd ethyl ester, with the CAS registry number 4314-21-0, is also known as 1H-Pentazole-1-acetic acid, ethyl ester. This chemical's molecular formula is C₆H₉N₃O₂ and molecular weight is 155.15. What's more, its systematic name is ethyl 2-(pentazol-1-yl)acetate.

Physical properties of 1H-1,2,3-Triazole-1-acetic aicd ethyl ester are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 7; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 82.79 Å²; (6)Index of Refraction: 1.646; (7)Molar Refractivity: 36.65 cm³; (8)Molar Volume: 100.8 cm³; (9)Polarizability: 14.53×10^-24cm³; (10)Surface Tension: 63.2 dyne/cm; (11)Density: 1.55 g/cm³; (12)Flash Point: 116.4 °C; (13)Enthalpy of Vaporization: 50.7 kJ/mol; (14)Boiling Point: 268.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00749 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cn1nnnn1
(2)InChI: InChI=1S/C4H7N5O2/c1-2-11-4(10)3-9-7-5-6-8-9/h2-3H2,1H3
(3)InChIKey: IVUXLWYMCNDIGB-UHFFFAOYSA-N

Product Name

1H-1,2,3-TRIAZOLE-1-ACETIC ACID ETHYL ESTER

1H-1,2,3-Triazole-1-acetic aicd ethyl ester Specification

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