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288-13-1

Basic Information
CAS No.: 288-13-1
Name: Pyrazole
Article Data: 121
Molecular Structure:
Molecular Structure of 288-13-1 (Pyrazole)
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: HarmfulXn
Risk Codes: 36/37/38-52-20/21/22
Safety: 26-61-37/39-36
PSA: 28.68000
LogP: 0.40970
Synthetic route
219580-32-2

tert-butyl 1H-pyrazole-1-carboxylate

288-13-1

NH-pyrazole

Conditions
ConditionsYield
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%

ethyl 2-(difluoroacetyl)-3-(dimethylamino)acrylate

288-13-1

NH-pyrazole

Conditions
ConditionsYield
With sodium hydroxide In water95.8%
With potassium hydroxide In water91.4%
3469-69-0

4-iodopyrazole

288-13-1

NH-pyrazole

Conditions
ConditionsYield
With sodium sulfite In water at 130℃; for 1h; Sealed tube; Microwave irradiation; Green chemistry;94%
60-34-4

methylhydrazine

A

288-13-1

NH-pyrazole

B

ethyl 2-(difluoroacetyl)-3-(dimethylamino)acrylate

Conditions
ConditionsYield
In water; tolueneA 93.6%
B n/a
56-81-5

glycerol

288-13-1

NH-pyrazole

Conditions
ConditionsYield
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%
2075-45-8

4-bromo-1H-pyrazole

288-13-1

NH-pyrazole

Conditions
ConditionsYield
With sodium sulfite In water at 130℃; for 5h; Sealed tube; Microwave irradiation; Green chemistry;91%
102-52-3

malonaldehydebis(dimethylacetal)

288-13-1

NH-pyrazole

Conditions
ConditionsYield
With hydrazine hydrate; acetic acid at 85℃; for 1.5h;90%

(Z)-1-(2-methyl-4,5-diphenylpent-4-en-2-yl)-1H-pyrazole

A

288-13-1

NH-pyrazole

B

(Z)-(4-methylpenta-1,3-diene-1,2-diyl)dibenzene

Conditions
ConditionsYield
With n-butyllithium In hexane; tert-butyl methyl ether at 20℃; for 0.05h; Catalytic behavior; Temperature; Inert atmosphere;A n/a
B 87%
6332-56-5

3-nitropyridone

A

288-13-1

NH-pyrazole

B

497-18-7

carbonodihydrazide

Conditions
ConditionsYield
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%

2-methyl-3-(1H-pyrazol-1-yl)propanoic acid

A

288-13-1

NH-pyrazole

B

5-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-one

Conditions
ConditionsYield
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:

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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