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CAS No.: | 37718-11-9 |
---|---|
Name: | 4-Pyrazolecarboxylic acid |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H4N2O2 |
Molecular Weight: | 112.088 |
Synonyms: | 1H-Pyrazole-4-carboxylicacid;Pyrazole-4-carboxylicacid (6CI,7CI);4-Carboxypyrazole;Pyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid; |
EINECS: | 253-641-5 |
Density: | 1.524 g/cm3 |
Melting Point: | 282 °C (dec.)(lit.) |
Boiling Point: | 417.1 °C at 760 mmHg |
Flash Point: | 206.1 °C |
Appearance: | off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 65.98000 |
LogP: | 0.10790 |
4-ethoxycarbonylpyrazole
1H-pyrazole-4-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water for 2h; Reflux; Inert atmosphere; | 96% |
1-phenyl-2-(4-pyrazolyl)ethanone
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% |
4-methyl-1H-pyrazole
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; |
4-phenyl-1H-pyrazole
1H-pyrazole-4-carboxylic acid
Conditions | Yield |
---|---|
durch Nitrierung,Reduktion des Nitrierungsgemisches und nachfolgende Oxidation mit Permanganat; |
1-benzyl-1H-pyrazole-4-carboxylic acid
1H-pyrazole-4-carboxylic acid
Conditions | Yield |
---|---|
With ammonia; sodium |
Conditions | Yield |
---|---|
anschl. mit CO2 bei -70grad; |
A
NH-pyrazole
B
1H-pyrazole-4-carboxylic acid
Conditions | Yield |
---|---|
bei schnellem Erhitzen; |
Conditions | Yield |
---|---|
anschl. mit CO2 bei -70grad; |
4-bromo-1H-pyrazole
1H-pyrazole-4-carboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride; n-butyllithium In hexane; water |
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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
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.
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 .