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Cas Database

Name	Pyrazole	EINECS	206-017-1
CAS No.	288-13-1	Density	1.116 g/cm³
PSA	28.68000	LogP	0.40970
Solubility	soluble in water	Melting Point	67-70 °C(lit.)
Formula	C₃H₄N₂	Boiling Point	187 °C at 760 mmHg
Molecular Weight	68.0782	Flash Point	87.5 °C
Transport Information	N/A	Appearance	white crystal
Safety	26-61-37/39-36	Risk Codes	36/37/38-52-20/21/22
Molecular Structure		Hazard Symbols	Xn
Synonyms	Pyrazole(6CI,8CI);1,2-Diazole;2-Azapyrrole;NSC 45410;	Article Data	121

Pyrazole Synthetic route

: 219580-32-2
tert-butyl 1H-pyrazole-1-carboxylate

: 288-13-1
NH-pyrazole

Conditions

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%

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

: 288-13-1
NH-pyrazole

Conditions

Conditions	Yield
With sodium hydroxide In water	95.8%
With potassium hydroxide In water	91.4%

: 3469-69-0
4-iodopyrazole

: 288-13-1
NH-pyrazole

Conditions

Conditions	Yield
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

Conditions	Yield
In water; toluene	A 93.6% B n/a

: 56-81-5
glycerol

: 288-13-1
NH-pyrazole

Conditions

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%

: 2075-45-8
4-bromo-1H-pyrazole

: 288-13-1
NH-pyrazole

Conditions

Conditions	Yield
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

Conditions	Yield
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

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%

: 6332-56-5
3-nitropyridone

A: 288-13-1
NH-pyrazole

B: 497-18-7
carbonodihydrazide

Conditions

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%

: 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

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%

Pyrazole Chemical Properties

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

Pyrazole Uses

Pyrazole (CAS NO.288-13-1) is used as a intermediate of medicine and dye.

Pyrazole 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.

Pyrazole Consensus Reports

Reported in EPA TSCA Inventory.

Pyrazole 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 NO_x.

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