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Cas Database |
| Name |
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid |
EINECS | N/A |
| CAS No. | 54367-66-7 | Density | 1.56 g/cm3 |
| PSA | 55.12000 | LogP | 0.77170 |
| Solubility | N/A | Melting Point |
197-198 ºC |
| Formula | C5H5ClN2O2 | Boiling Point | 315.8 ºC at 760 mmHg |
| Molecular Weight | 160.56 | Flash Point | 144.8 ºC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid 95%;1H-pyrazole-4-carboxylic acid, 5-chloro-1-methyl-; |
Article Data | 4 |
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid Chemical Properties
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Systematic Name: 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
Molecular Formula: C5H5ClN2O2
Molecular Weight: 160.56 g/mol
Canonical SMILES: O=C(O)c1cnn(c1Cl)C
InChI: InChI=1/C5H5ClN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 44.12
Index of Refraction: 1.62
Molar Refractivity: 36.16 cm3
Molar Volume: 102.8 cm3
Polarizability: 14.33×10-24 cm3
Surface Tension: 54.2 dyne/cm
Density: 1.56 g/cm3
Flash Point: 144.8 °C
Enthalpy of Vaporization: 58.82 kJ/mol
Boiling Point: 315.8 °C at 760 mmHg
Melting Point: 197-198 °C
Vapour Pressure of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS NO.54367-66-7): 0.00018 mmHg at 25 °C
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid Safety Profile
Hazard Codes: 
Xi
Hazard Note of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS NO.54367-66-7): Irritant
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid Specification
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS NO.54367-66-7), its Synonyms are 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid 95% ; 1H-pyrazole-4-carboxylic acid, 5-chloro-1-methyl- .
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