Methyl isonicotinate - CAS 2459-09-8
Catalog: |
BB018539 |
Product Name: |
Methyl isonicotinate |
CAS: |
2459-09-8 |
Synonyms: |
methyl pyridine-4-carboxylate |
IUPAC Name: | methyl pyridine-4-carboxylate |
Description: | Methyl Isonicotinate induces increased walking and take-off behaviour in western flower thrips, Frankliniella occidentalis. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | COC(=O)C1=CC=NC=C1 |
InChI: | InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3 |
InChI Key: | OLXYLDUSSBULGU-UHFFFAOYSA-N |
Boiling Point: | 207-209 °C |
Purity: | 98 % |
Density: | 1.161 g/cm3 |
Appearance: | Clear orange to brown liquid |
MDL: | MFCD00006427 |
LogP: | 0.86820 |
Vapor Pressure: | 0.27 [mmHg] |
GHS Hazard Statement: | H315 (92.98%): 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-113121503-A | Topiroxostat synthesis method | 20210331 |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
CN-112387312-A | Preparation method of MOF-confinement-based supported gold nanoparticle catalyst | 20201102 |
CN-112048734-A | Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic acid | 20200911 |
JP-2021143175-A | Pharmaceutical composition containing an imidazolipyridinone compound | 20200312 |
PMID | Publication Date | Title | Journal |
21700492 | 20110901 | Synthesis, crystal structure, EPR spectra of Cu2+ doped [Zn(methylisonicotinate)2(H2O)4]·(sac)2 single crystal | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22090955 | 20110801 | N-Hy-droxy-pyridine-4-carboxamide | Acta crystallographica. Section E, Structure reports online |
21818315 | 20110101 | Suppression of jasmonic acid-dependent defense in cotton plant by the mealybug Phenacoccus solenopsis | PloS one |
21580349 | 20100210 | Methyl isonicotinate 1-oxide | Acta crystallographica. Section E, Structure reports online |
19736758 | 20090801 | Pyridine compounds increase thrips (Thysanoptera: Thripidae) trap capture in an onion crop | Journal of economic entomology |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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