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| CAS No.: | 75092-30-7 |
|---|---|
| Name: | 4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H5IN2O2 |
| Molecular Weight: | 252.011 |
| Synonyms: | 4-Iodo-2-methyl-2H-pyrazole-3-carboxylic acid |
| Density: | 2.26 g/cm3 |
| Melting Point: | 242°C(lit.) |
| Boiling Point: | 362.2 °C at 760 mmHg |
| Flash Point: | 172.9 °C |
| PSA: | 55.12000 |
| LogP: | 0.72290 |
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- Total:38 Page 1 of 1 1
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Specification
The 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid is an organic compound with the formula C5H5IN2O2. The systematic name of this chemical is 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid. With the CAS registry number 75092-30-7, it is also named as 1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-.
Physical properties about 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid are: (1)ACD/LogP: 0.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 44.12 Å2; (10)Index of Refraction: 1.726; (11)Molar Refractivity: 44.21 cm3; (12)Molar Volume: 111.1 cm3; (13)Polarizability: 17.52×10-24cm3; (14)Surface Tension: 62.8 dyne/cm; (15)Density: 2.26 g/cm3; (16)Flash Point: 172.9 °C; (17)Enthalpy of Vaporization: 64.17 kJ/mol; (18)Boiling Point: 362.2 °C at 760 mmHg; (19)Vapour Pressure: 7E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cnn(c1C(=O)O)C
(2)InChI: InChI=1/C5H5IN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
(3)InChIKey: SZRMOKQNOJYMNK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H5IN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
(5)Std. InChIKey: SZRMOKQNOJYMNK-UHFFFAOYSA-N