4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid supplier

Name
4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 75092-30-7
Article Data5
CAS DataBase
Density 2.26 g/cm³
Solubility
Melting Point 242°C(lit.)
Formula C₅H₅IN₂O₂
Boiling Point 362.2 °C at 760 mmHg
Molecular Weight 252.011
Flash Point 172.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Iodo-2-methyl-2H-pyrazole-3-carboxylic acid
PSA 55.12000
LogP 0.72290

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid 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

Product Name

4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid Specification

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