ChemicalBook--->CAS DataBase List--->1453-58-3

1453-58-3

1453-58-3 Structure

1453-58-3 Structure
IdentificationMore
[Name]

3-Methylpyrazole
[CAS]

1453-58-3
[Synonyms]

3-METHYL-1,2-DIAZOLE
3-METHYL-1H-PYRAZOLE
3-METHYLPYRAZOLE
AKOS B022230
AKOS PAO-1147
ART-CHEM-BB B022230
1H-Pyrazole, 3-methyl-
3(5)-methylpyrazole
3-methyl-1(2)H-pyrazole
3-methyl-pyrazol
5-methyl-pyrazol
5-Methylpyrazole
Pyrazole, 3(or 5)-methyl-
Pyrazole, 3-methyl-
Pyrazole, 5-methyl-
3-Methylpyrazole ,98%
[EINECS(EC#)]

215-925-7
[Molecular Formula]

C4H6N2
[MDL Number]

MFCD00005240
[Molecular Weight]

82.1
[MOL File]

1453-58-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[Melting point ]

36.5°C
[Boiling point ]

204 °C (lit.)
[density ]

1.02 g/mL at 25 °C(lit.)
[vapor pressure ]

1.82hPa at 20℃
[refractive index ]

n20/D 1.495(lit.)
[Fp ]

200 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Sparingly), Methanol (Sparingly)
[form ]

Liquid
[pka]

14.56±0.10(Predicted)
[color ]

Clear light yellow
[Water Solubility ]

miscible
[Detection Methods]

GC,NMR
[BRN ]

1454
[InChI]

1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
[InChIKey]

XKVUYEYANWFIJX-UHFFFAOYSA-N
[SMILES]

Cc1cc[nH]n1
[LogP]

0.475 at 25℃
[CAS DataBase Reference]

1453-58-3(CAS DataBase Reference)
[NIST Chemistry Reference]

3(5)-methylpyrazole(1453-58-3)
[EPA Substance Registry System]

1453-58-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H314-H361
[Precautionary statements ]

P201-P280-P301+P312+P330-P303+P361+P353-P305+P351+P338+P310-P308+P313
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

UQ7340000
[F ]

10
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29331990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Repr. 1B
Skin Corr. 1B
STOT RE 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Hydroxybutyronitrile-->3-Butyn-2-ol
[Preparation Products]

1-(1-Methyl-1H-pyrazol-3-yl)methanamine-->Antipyrine-->Acid yellow 17-->Mordant Red 7-->4-Iodo-1 H-pyrazole-3-carboxylic acid-->4-Chloro-1H-pyrazole-3-carboxylic acid-->1-Ethyl-3-methylpyrazole-->4-Chloro-3-methyl-1H-pyrazole-->4-Bromo-1H-pyrazole-3-carboxylic acid-->4-Chloro-3-Methyl-1H-pyrazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methylpyrazole(1453-58-3).msds
Questions And AnswerBack Directory
[Description]

3-methyl-pyrazole can be used as an additive in the MTO-catalyzed epoxidation of alkenes.
[Reference]

Jan-Erling Eäckwall, Modern Oxidation Methods, 2010, ISBN 978-3-527-32320-3
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid
[Uses]

Its application as nitrification inhibitor of nitrogen fertilizers
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylpyrazole(1453-58-3)MS
3-Methylpyrazole(1453-58-3)1HNMR
3-Methylpyrazole(1453-58-3)13CNMR
3-Methylpyrazole(1453-58-3)IR1
3-Methylpyrazole(1453-58-3)IR2
3-Methylpyrazole(1453-58-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methylpyrazole, 99%(1453-58-3)
[Alfa Aesar]

3-Methyl-1H-pyrazole, 97%(1453-58-3)
[Sigma Aldrich]

1453-58-3(sigmaaldrich)
[TCI AMERICA]

3-Methylpyrazole,>98.0%(GC)(1453-58-3)
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