Methyl 6-chloropyridine-3-carboxylate - CAS 73781-91-6
Catalog: |
BB034915 |
Product Name: |
Methyl 6-chloropyridine-3-carboxylate |
CAS: |
73781-91-6 |
Synonyms: |
methyl 6-chloropyridine-3-carboxylate |
IUPAC Name: | methyl 6-chloropyridine-3-carboxylate |
Description: | Methyl 6-chloropyridine-3-carboxylate (CAS# 73781-91-6) is used in the determination of Acetamiprid (A150800) and its metabolites in crop and soil. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | COC(=O)C1=CN=C(C=C1)Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3 |
InChI Key: | RMEDXVIWDFLGES-UHFFFAOYSA-N |
Boiling Point: | 231.8 °C |
Melting Point: | 81-85 °C |
Purity: | 95 % |
Density: | 1.294 g/cm3 |
Appearance: | Light brown crystals |
MDL: | MFCD00023420 |
LogP: | 1.52160 |
GHS Hazard Statement: | H315 (11.36%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021195406-A1 | New therapeutic uses of compounds | 20200326 |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133038-A1 | Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof | 20191223 |
US-2021236663-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
WO-2021126693-A1 | Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 20191218 |
PMID | Publication Date | Title | Journal |
22259447 | 20120101 | Methyl 6-chloro-nicotinate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Related Functional Groups
Carbonyl Compounds
Pyridines
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