Introduction：Basic information about 3,5-Dimethylpyrazole CAS 67-51-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,5-Dimethylpyrazole Basic information
| Product Name: | 3,5-Dimethylpyrazole |
| Synonyms: | TIMTEC-BB SBB004377;LABOTEST-BB LT00107055;1(H)-3,5-Dimethylpyrazole;1H-Pyrazole,3,5-dimethyl-;3,5-dimethyl-1h-pyrazol;3,5-Dwumetylopirazolu;Pyrazole, 3,5-dimethyl-;TH 564 |
| CAS: | 67-51-6 |
| MF: | C5H8N2 |
| MW: | 96.13 |
| EINECS: | 200-657-5 |
| Product Categories: | Pharmaceutical intermediates;Building Blocks;C3 to C5;Chemical Synthesis;Heterocyclic Building Blocks;Building Blocks;Heterocyclic Building Blocks;Pyrazoles;Gravimetric ReagentsBuilding Blocks;Analytical Reagents;Analytical/Chromatography;Diketene Derivatives;Pyrazolones;bc0001;67-51-6 |
| Mol File: | 67-51-6.mol |
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3,5-Dimethylpyrazole Chemical Properties
| Melting point | 105-108 °C (lit.) |
| Boiling point | 218 °C (lit.) |
| density | 0,884 g/cm3 |
| refractive index | 1.4739 (estimate) |
| Fp | 210°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: 0.1 g/mL, clear |
| pka | 15.12±0.10(Predicted) |
| form | Crystalline Powder or Crystals |
| color | White to almost white |
| PH | 6.7 (14g/l, H2O, 20℃) |
| Water Solubility | Soluble in water, methanol 0.1 g/mL. |
| BRN | 106325 |
| InChI | 1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7) |
| InChIKey | SDXAWLJRERMRKF-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)[nH]n1 |
| LogP | 1.010 |
| CAS DataBase Reference | 67-51-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-Pyrazole, 3,5-dimethyl-(67-51-6) |
| EPA Substance Registry System | 3,5-Dimethylpyrazole (67-51-6) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | UQ6477600 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29331990 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral
STOT RE 2 |
3,5-Dimethylpyrazole Usage And Synthesis
| Chemical Properties | White crystal powder |
| Uses | Common reagent for the preparation of pyrazolato ligated complexes.1,2 Also used to prepare N-1-substituted derivatives having antibacterial activity.3 |
| Uses | 3,5-Dimethylpyrazole is used as intermediate for the manufacture of organic dyestuffs and photochemicals. Product Data Sheet |
| Uses | 3,5-Dimethylpyrazole his a catalyst in the sulfonation of acetic anhydride to sulfoacetic acid and methanedisulfonic acid. 3,5-Dimethylpyrazole has been used in the synthesis of bipyrazolic tripodal derivatives with in vitro antitumor, antifungal and antibacterial activities. |
| Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 19, p. 373, 1982 DOI: 10.1002/jhet.5570190231
Organic Syntheses, Coll. Vol. 4, p. 351, 1963 |
| Purification Methods | Crystallise it from cyclohexane or water. [Barszez et al. J Chem Soc, Dalton Trans 2025 1986, Beilstein 23/5 V 110.] |
3,5-Dimethylpyrazole Preparation Products And Raw materials
| Raw materials | 1H-Pyrazole, 3,5-dimethyl-1-[2-[(4-methylphenyl)sulfonyl]ethyl]--->1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole-->ETHYL 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE-->1-ALLYL-3 5-DIMETHYLPYRAZOLE 96-->1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE-->4-Bromo-3,5-dimethylpyrazole-->Semicarbazide hydrochloride-->Hydrazine hydrate-->2,3-Pentanedione |
| Preparation Products | 4-Bromo-1,3,5-trimethyl-1H-pyrazole-->(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE-->1,3,5-Trimethylpyrazole-->1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde-->3,5-PYRAZOLEDICARBOXYLIC ACID-->1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid-->1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI)-->1,4-Dioxaspiro[4.5]decan-8-one-->DIETHYL 3,5-PYRAZOLEDICARBOXYLATE-->3,5-DIMETHYLPYRAZOLE-1-METHANOL-->4-amino-3,5-dimethyl-pyrazol-->Benzenesulfonic acid, 3-[2-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-, sodium salt (1:1) |
