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| CAS No.: | 288-13-1 |
|---|---|
| Name: | Pyrazole |
| Molecular Structure: | |
|
|
|
| Formula: | C3H4N2 |
| Molecular Weight: | 68.0782 |
| Synonyms: | Pyrazole(6CI,8CI);1,2-Diazole;2-Azapyrrole;NSC 45410; |
| EINECS: | 206-017-1 |
| Density: | 1.116 g/cm3 |
| Melting Point: | 67-70 °C(lit.) |
| Boiling Point: | 187 °C at 760 mmHg |
| Flash Point: | 87.5 °C |
| Solubility: | soluble in water |
| Appearance: | white crystal |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-52-20/21/22 |
| Safety: | 26-61-37/39-36 |
| PSA: | 28.68000 |
| LogP: | 0.40970 |
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tert-butyl 1H-pyrazole-1-carboxylate
- 288-13-1
NH-pyrazole
| Conditions | Yield |
|---|---|
| In methanol at 120℃; under 5171.62 Torr; for 0.333333h; Microwave irradiation; | 99% |
| With water at 100℃; for 0.166667h; | 99% |
| With sodium carbonate In 1,2-dimethoxyethane; water for 0.25h; Heating; | 60% |
- 288-13-1
NH-pyrazole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water | 95.8% |
| With potassium hydroxide In water | 91.4% |
| Conditions | Yield |
|---|---|
| With sodium sulfite In water at 130℃; for 1h; Sealed tube; Microwave irradiation; Green chemistry; | 94% |
| Conditions | Yield |
|---|---|
| In water; toluene | A 93.6% B n/a |
| Conditions | Yield |
|---|---|
| Stage #1: glycerol With hydrazine hydrate; potassium iodide; sodium iodide under 3750.38 Torr; for 0.5h; Large scale; Stage #2: With sulfuric acid at 160℃; for 2h; Temperature; Pressure; Large scale; | 91.1% |
| Conditions | Yield |
|---|---|
| With sodium sulfite In water at 130℃; for 5h; Sealed tube; Microwave irradiation; Green chemistry; | 91% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate; acetic acid at 85℃; for 1.5h; | 90% |
A
- 288-13-1
NH-pyrazole
| Conditions | Yield |
|---|---|
| With n-butyllithium In hexane; tert-butyl methyl ether at 20℃; for 0.05h; Catalytic behavior; Temperature; Inert atmosphere; | A n/a B 87% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate at 90 - 95℃; for 7h; | A 74% B 75% |
| With hydrazine hydrate at 90 - 95℃; for 7h; Product distribution; also 3,5-dinitropyridone investigated; | A 74% B 75% |
A
- 288-13-1
NH-pyrazole
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran -78 deg C 15 min, -45 deg C 1 h and room t., 3.5 h; | A 75% B 22% |
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Chemistry
Molecular Structure:
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Molecular Formula: C3H4N2
Molecular Weight: 68.0773
IUPAC Name: 1H-Pyrazole
Synonyms of Pyrazole (CAS NO.288-13-1): 1,2-Diazole ; AI3-60151 ; EINECS 206-017-1 ; NSC 45410 ; 1H-Pyrazole
CAS NO: 288-13-1
Classification Code: Enzyme inhibitors ; Reproductive Effect
Melting point: 67-70 °C
Index of Refraction: 1.528
Molar Refractivity: 18.77 cm3
Molar Volume: 60.9 cm3
Surface Tension: 48.6 dyne/cm
Density: 1.116 g/cm3
Flash Point: 87.5 °C
Enthalpy of Vaporization: 40.59 kJ/mol
Boiling Point: 187 °C at 760 mmHg
Vapour Pressure: 0.887 mmHg at 25°C
Uses
Pyrazole (CAS NO.288-13-1) is used as a intermediate of medicine and dye.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 175mg/kg (175mg/kg) | Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983-Vol. 6, Pg. 305, 1988. | |
| mouse | LD50 | intraperitoneal | 538mg/kg (538mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 178, Pg. 199, 1971. | |
| mouse | LD50 | intravenous | 374mg/kg (374mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. | |
| mouse | LD50 | oral | 409mg/kg (409mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. | |
| rat | LD50 | intraperitoneal | 900mg/kg (900mg/kg) | Journal of Pharmaceutical Sciences. Vol. 57, Pg. 537, 1968. | |
| rat | LD50 | intravenous | 1021mg/kg (1021mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. | |
| rat | LD50 | oral | 1010mg/kg (1010mg/kg) | BEHAVIORAL: COMA LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" LIVER: FATTY LIVER DEGERATION | Experientia. Vol. 25, Pg. 816, 1969. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Pyrazole (CAS NO.288-13-1):
Hazard Codes:Xn 
Risk Statements:22-36/37/38-52-20/21/22
22:Harmful if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
52:Harmful to aquatic organisms
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:26-36/37-61-37/39-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:Wear suitable protective clothing and gloves
61:Avoid release to the environment. Refer to special instructions safety data sheet
37/39:Wear suitable gloves and eye/face protection
36:Wear suitable protective clothing
RIDADR:2811
WGK Germany:1
RTECS:UQ4900000
HazardClass:6.1(b)
PackingGroup:III
HS Code:29331990
Moderately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
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