3-Methylpyrazole - CAS 1453-58-3
Catalog: |
BB009933 |
Product Name: |
3-Methylpyrazole |
CAS: |
1453-58-3 |
Synonyms: |
5-methyl-1H-pyrazole |
Related CAS: | 88054-14-2
|
IUPAC Name: | 5-methyl-1H-pyrazole |
Description: | 3-Methylpyrazole (3-MP) is a weak or non-inhibitor of alcohol dehydrogenase. |
Molecular Weight: | 82.10 |
Molecular Formula: | C4H6N2 |
Canonical SMILES: | CC1=CC=NN1 |
InChI: | InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6) |
InChI Key: | XKVUYEYANWFIJX-UHFFFAOYSA-N |
Boiling Point: | 204 °C |
Melting Point: | 36-37 °C |
Purity: | 95 % |
Density: | 1.02 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00005240 |
LogP: | 0.71810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113307684-A | Cotton drip irrigation fertilizer and preparation and application methods thereof | 20210618 |
JP-2021080483-A | Complex | 20210304 |
CN-113004135-A | Method for preparing thujopsis japonica ketonic acid by utilizing MTO catalysis | 20210303 |
AU-2021100557-A4 | Carbon-coupled stabilized nitrogen fertilizer and preparation method | 20210128 |
AU-2021100558-A4 | Carbon-coupled stabilized compound fertilizer and preparation method | 20210128 |
PMID | Publication Date | Title | Journal |
23035973 | 20121102 | Methyltrioxorhenium-catalyzed epoxidation of homoallylic alcohols with hydrogen peroxide | The Journal of organic chemistry |
22743356 | 20121009 | Evidence of the in vitro genotoxicity of methyl-pyrazole pesticides in human cells | Mutation research |
22589014 | 20120618 | Highly efficient redox isomerisation of allylic alcohols catalysed by pyrazole-based ruthenium(IV) complexes in water: mechanisms of bifunctional catalysis in water | Chemistry (Weinheim an der Bergstrasse, Germany) |
22177984 | 20120215 | In vitro drug metabolism by C-terminally truncated human flavin-containing monooxygenase 3 | Biochemical pharmacology |
22240170 | 20120112 | A retrospective analysis of glycol and toxic alcohol ingestion: utility of anion and osmolal gaps | BMC clinical pathology |
Complexity: | 44.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 82.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 82.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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