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| CAS No.: | 7554-65-6 |
|---|---|
| Name: | 4-Methylpyrazole |
| Article Data: | 19 |
| Molecular Structure: | |
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|
|
| Formula: | C4H6N2 |
| Molecular Weight: | 82.105 |
| Synonyms: | Pyrazole,4-methyl- (6CI,7CI,8CI);4-Methyl-1H-pyrazole;Antizol;Fomepizole;Fomepizolum; |
| EINECS: | 231-445-0 |
| Density: | 1.062 g/cm3 |
| Melting Point: | 13°C |
| Boiling Point: | 243.6 °C at 760 mmHg |
| Flash Point: | 96.1 °C |
| Solubility: | soluble |
| Appearance: | clear colourless to yellowish liquid after melting |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36-24/25 |
| Transport Information: | UN 2810 |
| PSA: | 28.68000 |
| LogP: | 0.71810 |
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- 10602-37-6
1,1,3,3-tetraethoxy-2-methyl-propane
- 7554-65-6
4-methyl-1H-pyrazole
| Conditions | Yield |
|---|---|
| Stage #1: 1,1,3,3-tetraethoxy-2-methyl-propane With hydrazinium sulfate In water at 80℃; for 3h; Stage #2: With sodium hydroxide In water at 3 - 30℃; pH=4 - 6; Stage #3: With sodium hydrogencarbonate In water at 27 - 30℃; pH=7; | 84% |
| Stage #1: 1,1,3,3-tetraethoxy-2-methyl-propane With hydrazinium sulfate In water at 80℃; for 3h; Stage #2: With sodium hydroxide In water at 3 - 30℃; pH=4 - 6; Stage #3: With sodium hydrogencarbonate In water at 27℃; pH=7; | 84% |
- 7554-65-6
4-methyl-1H-pyrazole
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol for 1h; Heating; | 68% |
- 99968-85-1
4-methyl-1H-pyrazole-3,5-dicarboxylic acid
- 7554-65-6
4-methyl-1H-pyrazole
| Conditions | Yield |
|---|---|
| bei der trocknen Destillation des Silbersalzes; |
- 82231-51-4
4-methyl-1H-pyrazole-3-carboxylic acid
- 7554-65-6
4-methyl-1H-pyrazole
| Conditions | Yield |
|---|---|
| With soda lime Beim Destillieren; |
| Conditions | Yield |
|---|---|
| With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yield given; | |
| With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yield given. Yields of byproduct given; |
- 7554-65-6
4-methyl-1H-pyrazole
| Conditions | Yield |
|---|---|
| With ethanol; hydrazine hydrate |
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 30989-81-2
3-amino-2-methyl acrolein
- 7554-65-6
4-methyl-1H-pyrazole
| Conditions | Yield |
|---|---|
| With tetrabutyl-ammonium chloride In water at 20 - 80℃; for 4h; Reagent/catalyst; Temperature; | 82 g |
| Conditions | Yield |
|---|---|
| 100% | |
| 92.1% | |
| phosphoric acid | 68% |
| With sodium hydroxide; dimethyl sulfate | |
| With sulfuric acid In methanol |
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Specification
The CAS registry number of 4-Methylpyrazole is 7554-65-6. Its EINECS registry number is 231-445-0. The IUPAC name is 4-methyl-1H-pyrazole. In addition, the molecular formula is C4H6N2 and the molecular weight is 82.10. It is also called pyrazole, 4-methyl-. What's more, it is a kind of clear colourless to yellowish liquid after melting and belongs to the classes of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): 0.77; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 2.27; (5)ACD/BCF (pH 7.4): 2.29; (6)ACD/KOC (pH 5.5): 62.29; (7)ACD/KOC (pH 7.4): 63.07; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 23.6 cm3; (13)Molar Volume: 77.2 cm3; (14)Polarizability: 9.35 ×10-24cm3; (15)Surface Tension: 43.7 dyne/cm; (16)Density: 1.062 g/cm3; (17)Flash Point: 96.1 °C; (18)Enthalpy of Vaporization: 46.11 kJ/mol; (19)Boiling Point: 243.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0497 mmHg at 25°C.
Preparation of 4-Methylpyrazole: it can be prepared by 4-methyl-5-trimethylsilanyl-1H-pyrazole. This reaction will need reagent aq. KOH and solvent ethanol. The reaction time is 1 hour by heating. The yield is about 68%.
Uses of 4-Methylpyrazole: it can be used as an antidote in confirmed or suspected methanol or ethylene glycol. It may be used alone or in combination with hemodialysis. In addition, it can react with trichloromethane to get tris(4-methylpyrazol-1-yl)methane. This reaction will need reagents K2CO3 and tetrabutylammonium bromide. The reaction time is 10 hours by heating. The yield is about 40%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(cn1)C
(2)InChI: InChI=1/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
(3)InChIKey: RIKMMFOAQPJVMX-UHFFFAOYAT
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 310mg/kg (310mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. | |
| mouse | LD50 | oral | 640mg/kg (640mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. | |
| rat | LD50 | intravenous | 310mg/kg (310mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. | |
| rat | LD50 | oral | 534mg/kg (534mg/kg) | Experientia. Vol. 28, Pg. 1198, 1972. |