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172282-34-7

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Basic Information
CAS No.: 172282-34-7
Name: 1H-pyrazole, 1-ethyl-4-iodo-
Molecular Structure:
Molecular Structure of 172282-34-7 (1H-pyrazole, 1-ethyl-4-iodo-)
Formula: C5H7IN2
Molecular Weight: 222.028
Synonyms: 1-Ethyl-4-iodo-1H-pyrazole;N-ethyl-4-iodopyrazole;
EINECS: 604-604-1
Density: 1.908 g/cm3
Boiling Point: 239.616 °C at 760 mmHg
Flash Point: 98.717 °C
PSA: 17.82000
LogP: 1.50760
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Specification

The 1-Ethyl-4-iodo-1H-pyrazole, with the CAS registry number 172282-34-7, is also known as 1-Ethyl-4-iodopyrazole. This chemical's molecular formula is C5H7IN2 and molecular weight is 222.0269. Its systematic name is called 1-ethyl-4-iodo-1H-pyrazole.

Physical properties of 1-Ethyl-4-iodo-1H-pyrazole: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 208; (7)ACD/KOC (pH 7.4): 208; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.651; (11)Molar Refractivity: 42.512 cm3; (12)Molar Volume: 116.393 cm3; (13)Surface Tension: 45.141 dyne/cm; (14)Density: 1.908 g/cm3; (15)Flash Point: 98.717 °C; (16)Enthalpy of Vaporization: 45.719 kJ/mol; (17)Boiling Point: 239.616 °C at 760 mmHg; (18)Vapour Pressure: 0.061 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cnn(CC)c1
(2)InChI: InChI=1/C5H7IN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
(3)InChIKey: XWZIDZDMNYAEOP-UHFFFAOYAE