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Cas Database |
| Name |
4-Pyrazolecarboxylic acid |
EINECS | 253-641-5 |
| CAS No. | 37718-11-9 | Density | 1.524 g/cm3 |
| PSA | 65.98000 | LogP | 0.10790 |
| Solubility | N/A | Melting Point |
282 °C (dec.)(lit.) |
| Formula | C4H4N2O2 | Boiling Point | 417.1 °C at 760 mmHg |
| Molecular Weight | 112.088 | Flash Point | 206.1 °C |
| Transport Information | N/A | Appearance | off-white powder |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1H-Pyrazole-4-carboxylicacid;Pyrazole-4-carboxylicacid (6CI,7CI);4-Carboxypyrazole;Pyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid; |
Article Data | 14 |
4-Pyrazolecarboxylic acid Synthetic route
- 37622-90-5
4-ethoxycarbonylpyrazole
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 2h; Reflux; Inert atmosphere; | 96% |
- 96780-98-2
1-phenyl-2-(4-pyrazolyl)ethanone
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate In water for 0.5h; Heating; | 54% |
| With potassium permanganate In water for 0.5h; Product distribution; Heating; | 54% |
- 7554-65-6
4-methyl-1H-pyrazole
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 4-methyl-1H-pyrazole With sodium hydroxide In water at 60℃; Stage #2: With potassium permanganate In water at 80 - 90℃; for 5h; Stage #3: In water pH=< 2; Acidic conditions; | 45% |
| With potassium permanganate; water |
| Conditions | Yield |
|---|---|
| anschliessend mit CO2; |
- 10199-68-5
4-phenyl-1H-pyrazole
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| durch Nitrierung,Reduktion des Nitrierungsgemisches und nachfolgende Oxidation mit Permanganat; |
- 401647-24-3
1-benzyl-1H-pyrazole-4-carboxylic acid
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With ammonia; sodium |
| Conditions | Yield |
|---|---|
| anschl. mit CO2 bei -70grad; |
A
- 288-13-1
NH-pyrazole
B
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| bei schnellem Erhitzen; |
| Conditions | Yield |
|---|---|
| anschl. mit CO2 bei -70grad; |
- 2075-45-8
4-bromo-1H-pyrazole
- 37718-11-9
1H-pyrazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; n-butyllithium In hexane; water |
4-Pyrazolecarboxylic acid Chemical Properties
Empirical Formula: C4H4N2O2
Molecular Weight: 112.0868
EINECS: 253-641-5
Index of Refraction: 1.616
Molar Refractivity: 25.7 cm3
Molar Volume: 73.5 cm3
Surface Tension: 84.9 dyne/cm
Density: 1.524 g/cm3
Flash Point: 206.1 °C
Storage tempreture: Keep cold
Appearance: Off-white powder
Enthalpy of Vaporization: 70.69 kJ/mol
Boiling Point: 417.1 °C at 760 mmHg
Vapour Pressure: 1.05E-07 mmHg at 25 °C
Melting point: 282 °C (dec.)(lit.)
Structure of 1H-Pyrazole-4-carboxylic acid (CAS NO.37718-11-9):
IUPAC Name: 1H-Pyrazole-4-carboxylic acid
Canonical SMILES: C1=C(C=NN1)C(=O)O
InChI: InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)
InChIKey: IMBBXSASDSZJSX-UHFFFAOYSA-N
Product Category of 4-Amino-2,6-difluorophenol (CAS NO.126058-97-7): Heterocyclic Compounds;Heterocyclic Building Blocks;Pyrazoles
4-Pyrazolecarboxylic acid Safety Profile
Hazard Codes of 1H-Pyrazole-4-carboxylic acid (CAS NO.37718-11-9): 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
4-Pyrazolecarboxylic acid Specification
1H-Pyrazole-4-carboxylic acid , its cas register number is 37718-11-9. It also can be called 4-Pyrazolecarboxylic acid ; and 1H-Pyrazole-4-carboxylicacid .
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