3,5-Dimethylpyrazole

CAS Number: 67-51-6

Molecular Formula: C5H8N2

Purity: 3,5-Dimethylpyrazole 99% purity

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About 3,5-Dimethylpyrazole

3,5-Dimethyl-1H-pyrazole (CAS 67-51-6) has solidified its position as a critical component in the API intermediates market, where its electron-rich heterocyclic structure is leveraged by CDMOs to synthesize complex bioactive molecules, including phosphodiesterase inhibitors and anticonvulsants. DMP (CAS 67-51-6) is wit...

3,5-Dimethylpyrazole Specifications

CAS Number

67-51-6

Molecular Formula

C5H8N2

Molecular Weight

96.13 g/mol

IUPAC Name

3,5-Dimethyl-1H-pyrazole

Canonical SMILES

C1=CC(=C(C=C1C#N)N)O

InChI Key

SDXAWLJRERMRKF-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)

EINECS Number

200-657-5

MDL Number

MFCD00005243

HSN No

29331990

CAS Number

67-51-6

Molecular Formula

C5H8N2

Molecular Weight

96.13 g/mol

IUPAC Name

3,5-Dimethyl-1H-pyrazole

Canonical SMILES

C1=CC(=C(C=C1C#N)N)O

InChI Key

SDXAWLJRERMRKF-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)

EINECS Number

200-657-5

MDL Number

MFCD00005243

HSN No

29331990

Molecular Weight

96.13 g/mol

Purity

3,5-Dimethylpyrazole 99% purity

Melting Point

105-108 °C

Boiling Point

218 °C

Freezing point

107°C

Flash Point

90.50 °C

Density

1.027 g/cm3

Precise Quality

67-51-6

PSA

28.7 Å²

logP

1.01

Average mass

96.13 g/mol

Monoisotopic mass

96.068748264 Da

Molar mass

96.13 g/mol

Vapour pressure

0.7 Pa at 25 °C

Precautionary Statement Codes

P201, P202, P260, P264, P270, P280, P301+P312+P330, P302+P352, P305+P351+P338, P308+P313, P314, P332+P313, P337+P313, P362, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%) Skin Irrit. 2 (100%)

Pharmaceutical Intermediate

An important building block utilized in the synthesis of various medicinal compounds and active pharmaceutical ingredients, including treatments for neurological disorders, anti-inflammatory, and anti-cancer therapies

Organic Synthesis Building Block

A versatile heterocyclic compound used as a precursor to a variety of ligands in coordination chemistry and for the development of complex molecules with diverse biological activities

Isocyanate Blocking Agent

An effective chemical sealant for polyurethane and epoxy resin systems that prevents reaction at room temperature and enables controlled deblocking under high-temperature conditions

Agrochemical Intermediate

A key component in the synthesis of agrochemicals, such as herbicides and fungicides, serving as a nitrification inhibitor to improve fertilizer efficiency and crop protection

Industrial Chemical Additive

A functional additive used in the formulation of corrosion inhibitors, photographic developers, and textile chemicals to impart specific performance characteristics.