1072-91-9

Basic information

• Product Name: 1,3,5-Trimethylpyrazole
• Synonyms: 1,3,5-Trimethylpyrazole ,98%;1,3,5,-Trimethylpyrazole,99%;1,3,5-TriMethylpyrazole, 97+%;1,3,5-Trimethyl-1H-pyrazole98%;VITAS-BB TBB000655;1H-Pyrazole, 1,3,5-trimethyl-;Pyrazole, 1,3,5-trimethyl-;1,3,5-TRIMETHYL-1H-PYRAZOLE
• CAS NO: 1072-91-9
• Molecular Formula: C₆H₁₀N₂
• Molecular Weight: 110.16
• EINECS: 1312995-182-4
• Product Categories: Pyrazoles;Pyrazoles & Triazoles;Nucleotides and Nucleosides;Bases & Related Reagents;Nucleotides;Pyrazoles & Triazoles;Building Blocks;Heterocyclic Building Blocks
• Mol File: 1072-91-9.mol
• Article Data: 25

Chemical Properties

• Melting Point: 38-41 °C(lit.)
• Boiling Point: 168-170 °C
• Flash Point: 93 °F
• Appearance: White low-melting solid
• Density: 0.93
• Vapor Pressure: 3.17mmHg at 25°C
• Refractive Index: 1.4589
• Storage Temp.: Room temperature.
• Solubility: soluble in Methanol
• PKA: 3.30±0.10(Predicted)
• BRN: 110515
• CAS DataBase Reference: 1,3,5-Trimethylpyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-Trimethylpyrazole(1072-91-9)
• EPA Substance Registry System: 1,3,5-Trimethylpyrazole(1072-91-9)

Safety Data

• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN 1325 4.1/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 1072-91-9(Hazardous Substances Data)

Usage

Chemical Properties

White Low-Mekting Solid

Synthesis Reference(s)

Canadian Journal of Chemistry, 71, p. 410, 1993 DOI: 10.1139/v93-060

InChI:InChI=1/C6H10N2/c1-5-4-8(3)7-6(5)2/h4H,1-3H3

Upstream product

• 67-51-6 3,5-dimethyl-1H-pyrazole 
• 74-88-4 methyl iodide 
• 98952-54-6 pentane-2,4-dione-bis-dimethylhydrazone 
• 60-34-4 methylhydrazine 
• 123-54-6 acetylacetone 
• 917-64-6 methyl magnesium iodide 
• 77202-09-6 4,6-dimethyl-1,2,3-triazine 
• 58364-79-7 2-(1-Methylhydrazino)maleinsaeure-dimethylester 
• 343866-85-3 3-acetyl-4-(t-butylamino)-3-penten-2-one 
• 123-91-1 1,4-dioxane 
• 102-85-2 tri-n-butyl phosphite 
• 1118-66-7 4-Aminopent-3-en-2-one 
• 6938-68-7 2-methyl-thiosemicarbazide 
• 79991-34-7 2,3,5-trimethyl-1,2,6-thiadiazine 1,1-dioxide 

Downstream Products

• 2644-93-1 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde 
• 51660-65-2 4-iodo-1,3,5-trimethyl-1H-pyrazole 
• 56079-15-3 4-chloro-1,3,5-trimethyl-1H-pyrazole 
• 17629-26-4 1-ethyl-3,5-dimethylpyrazole 
• 87581-61-1 1-(3,5-Dimethyl-pyrazol-1-yl)-2-phenyl-propan-2-ol 
• 61322-45-0 2,4,6-Trimethyl-benzenesulfonate1-amino-2,3,5-trimethyl-2H-pyrazol-1-ium; 
• 98298-63-6 1,3,5-trimethylpyrazole-4-carboxylic acid chloride 
• 15801-69-1 4-bromo-1,3,5-trimethylpyrazole 
• 75092-39-6 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid 
• 18712-39-5 4-hydroxymethyl-1,3,5-trimethyl-1H-pyrazole 
• 1360571-25-0 1,3,5-trimethyl-4-(phenylthio)-1H-pyrazole 

Relevant articles and documents

Transition Metal-Catalyzed N-Alkylation of NH Groups of Azoles with Alcohols

Azoles containing acidic NH-group react with various alcohols in the presence of catalytic amount of ruthenium-, rhodium-, and iridium- trialkylphosphite complexes to give the corresponding N-alkylated azoles in good to excellent yields.

Pyrazolium- versus imidazolium-based ionic liquids: Structure, dynamics and physicochemical properties

Ionic liquids (ILs) composed of two different pyrazolium cations with dicyanamide and bis(trifluoromethanesulfonyl)imide anions have been synthesized and characterized by NMR, Kamlet-Taft solvatochromic parameters, conductivity and rheological measurements, as well as ab initio calculations. Density functional calculations for the two pyrazolium cations, 1-butyl-2- methylpyrazolium [bmpz] and 1-butyl-2,3,5-trimethylpyrazolium [bm 3pz], provide a full picture of their conformational states. Homo- and heteronuclear NOE show aggregation motives sensitive to steric hindrance and the anions' nature. Self-diffusion coefficients D for the anion and the cation have been measured by pulsed field gradient spin-echo NMR (PGSE-NMR). The ionic diffusivity is influenced by their chemical structure and steric hindrance, giving the order Dcation > Danion for all of the examined compounds. The measured ion diffusion coefficients, viscosities, and ionic conductivity follow the Vogel-Fulcher-Tammann (VFT) equation for the temperature dependencies, and the best-fit parameters have been determined. Solvatochromic parameters indicate an increased ion association upon going from bis(trifluoromethanesulfonyl)imide to dicyanamide-based pyrazolium salts, as well as specific hydrogen bond donor capability of H atoms on the pyrazolium ring. All of these physical properties are compared to those of an analogous series of imidazolium-based ILs.

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SO2 extrusion in 1,2,6-thiadiazine 1,1-dioxides: A novel synthesis of pyrazoles

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PRODUCING METHOD OF NITROGEN-CONTAINING ORGANIC COMPOUND

A hydrazine-carbon dioxide-binding compound or hydrazine derivatives 2 carbonyl group react with a compound having one or more nitrogen-containing organic for preparing the compounds of relates to method.

Monomethylation of nitrogeneous heterocycles

A process for the monomethylation of nitrogenous heterocycles having at least one nitrogen atom bonded to a hydrogen atom by reacting the nitrogenous heterocycle with dimethyl carbonate at a temperature of between 100° and 200° C. and a pressure of between 0.93×105 Pa and 1.07×105 Pa while methanol produced during the reaction is distilled off as it is formed.