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16778-70-4

Basic Information
CAS No.: 16778-70-4
Name: 1-Ethyl-1,2,4-triazole
Article Data: 19
Cas Database
Molecular Structure:
Molecular Structure of 16778-70-4 (1-Ethyl-1,2,4-triazole)
Formula: C4H7N3
Molecular Weight: 97.12
Synonyms: 1-Ethyl-1,2,4-triazole;1-Ethyl-1H-1,2,4-triazole;
EINECS: 1312995-182-4
Density: 1.11 g/cm3
Boiling Point: 188.1 °C at 760 mmHg
Flash Point: 67.6 °C
PSA: 30.71000
LogP: 0.29800
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    1-Ethyl-1,2,4-Triazole

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Specification

The 1H-1,2,4-Triazole,1-ethyl- is an organic compound with the formula C4H7N3. The systematic name of this chemical is 1-Ethyl-1H-1,2,4-triazole. With the CAS registry number 16778-70-4, it is also named as 1-Ethyl-1,2,4-triazole. The product's category is Heterocycles. Besides, its molecular weight is 97.12.

Physical properties about 1H-1,2,4-Triazole,1-ethyl- are: (1)ACD/LogP: -0.33; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.6; (7)ACD/KOC (pH 7.4): 15.76; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.71 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 28.3 cm3; (13)Molar Volume: 87.2 cm3; (14)Polarizability: 11.22×10-24 cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.11 g/cm3; (17)Flash Point: 67.6 °C; (18)Enthalpy of Vaporization: 42.43 kJ/mol; (19)Boiling Point: 188.1 °C at 760 mmHg; (20)Vapour Pressure: 0.609 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
(2)InChIKey: FEOIYPLRWRCSMS-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
(4)Std. InChIKey: FEOIYPLRWRCSMS-UHFFFAOYSA-N