ChemicalBook--->CAS DataBase List--->288-13-1

288-13-1

288-13-1 Structure

288-13-1 Structure
IdentificationMore
[Name]

Pyrazole
[CAS]

288-13-1
[Synonyms]

1,2-DIAZOL
1,2-DIAZOLE
1H-PYRAZOLE
PYRAZOL
PYRAZOLE
1H-Pyrazol
Pyrazole(Rri124)~99%
Pyrrazole
Pyrazole, pure, 98%
Pyrazole ,99%
PYRAZOLE, 98%, PURE
[EINECS(EC#)]

206-017-1
[Molecular Formula]

C3H4N2
[MDL Number]

MFCD00005234
[Molecular Weight]

68.08
[MOL File]

288-13-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to yellow crystals or crystalline powder
[Melting point ]

67-70 °C (lit.)
[Boiling point ]

186-188 °C (lit.)
[density ]

1.4088 (rough estimate)
[vapor pressure ]

21Pa at 20℃
[refractive index ]

1.4203
[Fp ]

186-188°C
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform, Methanol
[form ]

Crystals or Crystalline Powder
[pka]

2.49(at 25℃)
[color ]

White to yellow
[Water Solubility ]

SOLUBLE
[Sensitive ]

Hygroscopic
[Detection Methods]

GC
[Merck ]

14,7960
[BRN ]

103775
[InChIKey]

WTKZEGDFNFYCGP-UHFFFAOYSA-N
[LogP]

0.33 at 25℃
[CAS DataBase Reference]

288-13-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrazole(288-13-1)
[EPA Substance Registry System]

288-13-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R52:Harmful to aquatic organisms.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

2811
[WGK Germany ]

1
[RTECS ]

UQ4900000
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29331990
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
[Toxicity]

LD50 (24 hr) in rats, mice (mmol/kg): 19, 21 i.v.; 21, 22 orally (Magnussen)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
[Preparation Products]

1-(1H-pyrazol-1-yl)propan-2-amine-->Fipronil-->Fenpyroximate-->2-(1H-PYRAZOL-1-YL)BENZOIC ACID-->3-(1H-PYRAZOL-1-YL)BENZALDEHYDE-->3-(1H-PYRAZOL-3-YL)BENZOIC ACID-->Pyrazole-3-boronic acid-->4-Pyrazol-1-yl-benzaldehyde-->5-Chloromethyl-2-(pyrazol-1-yl)pyridine-->4-Pyrazolecarboxylic acid-->[6-(1H-PYRAZOL-1-YL)PYRIDIN-3-YL]METHYLAMINE-->6-(1H-PYRAZOL-1-YL)NICOTINONITRILE-->(6-(1H-Pyrazol-1-yl)pyridin-3-yl)methanol-->3-(1H-PYRAZOL-1-YL)ANILINE-->Pyraclofos-->N-METHYL-6-(1H-PYRAZOL-1-YL)NICOTINAMIDE-->6-(1H-PYRAZOL-1-YL)NICOTINIC ACID-->4-(1H-PYRAZOL-1-YL)PHENYL ISOTHIOCYANATE-->3-Phenyl-1H-pyrazole-->2-BROMO-6-(1H-PYRAZOL-1-YL)PYRIDINE-->Metazachlor-->Climbazole-->Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate-->5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1H-Pyrazole(288-13-1).msds
Hazard InformationBack Directory
[Hazard]

Toxic by ingestion and inhalation, irritant to skin and eyes.
[Chemical Properties]

white to yellow crystals or crystalline powder
[Uses]

Chelating agent; in organic synthesis.
[Uses]

Pyrazole is used in organic synthesis and asa chelating agent.
[Uses]

Used as a ligand to prepare organometallic compounds.1,2
[Definition]

A heterocyclic crystalline aromatic compound with a five-membered ring containing three carbon atoms and two nitrogen atoms.
[Definition]

ChEBI: The 1H-tautomer of pyrazole.
[Definition]

pyrazole: An unsaturated heterocycliccompound having two nitrogenatoms in a five-membered ring,C3H4N2; m.p. 66–70°C; b.p. 168–188°C. Pyrazine is a symmetricdiazine.
[General Description]

Pyrazine is a heterocyclic crystalline aromatic compound with a five-membered ring containing three carbon atoms and two nitrogen atoms. It is a symmetricdiazine.
[Health Hazard]

The acute toxic symptoms from oral administrationof pyrazole in experimental animalswere ataxia, muscle weakness, and respiratorydepression. It is less toxic than pyrroleand pyrrolidine. The oral LD50 value in miceis within the range 1450 mg/kg.
Pyrazole exhibited reproductive toxicityin rats and mice when administered by oralor intraperitoneal route. The effects includefetal death, developmental abnormalities pertainingto the urogenital system, and postimplantationmortality.
[Fire Hazard]

Noncombustible solid.
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Crystallise pyrazole from pet ether, cyclohexane, or water. Its solubility in H2O at 9.6o is 2.7moles/L, and at 24.8o it is 19.4moles/L; in cyclohexane at 31.8o it is 0.577moles/L, and at 56.2o it is 5.86moles/L; and in benzene at 5.2o it is 0.31moles/L, and at 46.5o it is 16.8moles/1000mL. [Barszcz et al. J Chem Soc, Dalton Trans 2025 1986, Beilstein 23 H 39, 23 I 15, 23 II 33, 23 III/IV 550, 23/4 V 122.]
Spectrum DetailBack Directory
[Spectrum Detail]

Pyrazole(288-13-1)MS
Pyrazole(288-13-1)1HNMR
Pyrazole(288-13-1)13CNMR
Pyrazole(288-13-1)IR1
Pyrazole(288-13-1)IR2
Pyrazole(288-13-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pyrazole, pure, 98%(288-13-1)
[Alfa Aesar]

1H-Pyrazole, 98%(288-13-1)
[Sigma Aldrich]

288-13-1(sigmaaldrich)
[TCI AMERICA]

Pyrazole,>98.0%(GC)(T)(288-13-1)
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