Ethyl 4-pyrazolecarboxylate - CAS 37622-90-5
Catalog: |
BB023365 |
Product Name: |
Ethyl 4-pyrazolecarboxylate |
CAS: |
37622-90-5 |
Synonyms: |
ethyl 1H-pyrazole-4-carboxylate |
IUPAC Name: | ethyl 1H-pyrazole-4-carboxylate |
Description: | Used for the synthesis of isoxazole-4-carboxylic acid derivatives and isoxazole-3,5-dicarboxamides as herbicides. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CCOC(=O)C1=CNN=C1 |
InChI: | InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8) |
InChI Key: | KACZQOKEFKFNDB-UHFFFAOYSA-N |
Boiling Point: | 138-140 ℃ (3 mmHg) |
Purity: | 97.0 % |
Density: | 1.214 g/cm3 |
MDL: | MFCD00010844 |
LogP: | 0.58640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112480006-A | Synthetic preparation method of 4-pyrazole ethyl formate | 20201201 |
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PMID | Publication Date | Title | Journal |
19362486 | 20090501 | 1-Methyl and 1-(2-hydroxyalkyl)-5-(3-alkyl/cycloalkyl/phenyl/naphthylureido)-1H-pyrazole-4-carboxylic acid ethyl esters as potent human neutrophil chemotaxis inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Carbonyl Compounds
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