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1-Methylpyrazole

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Name

1-Methylpyrazole

EINECS -0
CAS No. 930-36-9 Density 0.996 g/cm3
PSA 17.82000 LogP 0.42010
Solubility Soluble in water Melting Point 36.5°C (estimate)
Formula C4H6N2 Boiling Point 126.999 °C at 760 mmHg
Molecular Weight 82.105 Flash Point 26.222 °C
Transport Information UN 1993 3/PG 3 Appearance clear colorless to light yellow liquid
Safety 26-37/39-16 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 930-36-9 (1-Methylpyrazole) Hazard Symbols IrritantXi
Synonyms

Pyrazole, 1-methyl- (6CI,7CI,8CI);1-Methyl-1H-pyrazole;

Article Data 39

1-Methylpyrazole Synthetic route

288-13-1

NH-pyrazole

74-88-4

methyl iodide

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
With potassium hydroxide; tetrabutylammomium bromide at 0℃; for 6h;90%
With potassium tert-butylate; 18-crown-6 ether In diethyl ether for 1h; Ambient temperature;86%
With potassium hydroxide In water at 20 - 37℃;85%
16034-46-1

1-methyl-1H-pyrazole-5-carboxylic acid

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
In neat (no solvent) at 235 - 250℃;81%
288-13-1

NH-pyrazole

616-38-6

carbonic acid dimethyl ester

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
at 140℃; for 8h; atmospheric pressure;69%
at 115 - 140℃; for 8 - 9h;14%
288-13-1

NH-pyrazole

77-78-1

dimethyl sulfate

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
With sodium hydroxide60%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water at 20℃;53%
92524-99-7

1-methyl-5-(trimethylsilyl)-1H-pyrazole

123-72-8

butyraldehyde

A

930-36-9

1-methyl-1H-pyrazole

B

92525-22-9

5-(1-hydroxybutyl)-1-methylpyrazole

Conditions
ConditionsYield
cesium fluoride In N,N-dimethyl-formamide at 50℃; for 1.33333h;A 30%
B 10%
288-13-1

NH-pyrazole

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
With sodium hydroxide; dimethyl sulfate
15803-02-8

4-bromo-1-methyl-1H-pyrazole

109-72-8, 29786-93-4

n-butyllithium

60-29-7

diethyl ether

A

930-36-9

1-methyl-1H-pyrazole

B

5952-92-1

1-methyl-1H-pyrazole-4-carboxylic acid

Conditions
ConditionsYield
anschl. mit CO2 bei -70grad;
122-31-6

malondialdehyde bis(diethyl acetal)

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
With ethanol; methylhydrazine sulfuric acid
26429-26-5

1,2-dimethyl-1H-pyrazol-2-ium iodide

930-36-9

1-methyl-1H-pyrazole

Conditions
ConditionsYield
bei der trocknen Destillation;
27258-04-4

bis(pyrazol-1-yl)methane

A

288-13-1

NH-pyrazole

B

930-36-9

1-methyl-1H-pyrazole

C

80510-03-8

Tris(pyrazolyl)methane

Conditions
ConditionsYield
at 600 - 750℃; under 0.01 Torr;A 25.2 % Chromat.
B 10.0 % Chromat.
C 30.8 % Chromat.
at 600 - 750℃; under 0.01 Torr;A 25.2 % Chromat.
B 10 % Chromat.
C 30.8 % Chromat.

1-Methylpyrazole Specification

The 1-Methylpyrazole, with the CAS registry number 930-36-9, is also known as 1H-Pyrazole,1-methyl-. It belongs to the product categories of Pyrazoles & Triazoles; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C4H6N2 and molecular weight is 82.10. What's more, its systematic name is 1-Methyl-1H-pyrazole. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants.

Physical properties of 1-Methylpyrazole are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.97; (8)ACD/KOC (pH 7.4): 19.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 25.25 cm3; (15)Molar Volume: 82.394 cm3; (16)Polarizability: 10.01×10-24cm3; (17)Surface Tension: 35.0 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 26.222 °C; (20)Enthalpy of Vaporization: 34.972 kJ/mol; (21)Boiling Point: 126.999 °C at 760 mmHg; (22)Vapour Pressure: 13.8 mmHg at 25°C.

Preparation: this chemical can be prepared by 1H-pyrazole and iodomethane at the ambient temperature. This reaction will need reagent potassium tert-butoxide and solvent diethyl ether with the reaction time of 1 hour. This reaction will also need catalyst 18-crown-6. The yield is about 86%.

1-Methylpyrazole can be prepared by 1H-pyrazole and iodomethane at the ambient temperature

Uses of 1-Methylpyrazole: it can be used to produce 1-methyl-4-nitro-1H-pyrazole. It will need reagents HNO3, H2SO4. The yield is about 60%.

1-Methylpyrazole can be used to produce 1-methyl-4-nitro-1H-pyrazole

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1C
(2)Std. InChI: InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3
(3)Std. InChIKey: UQFQONCQIQEYPJ-UHFFFAOYSA-N  

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