Diethyl 4-Chloropyridine-2,6-dicarboxylate - CAS 53389-01-8
Catalog: |
BB028187 |
Product Name: |
Diethyl 4-Chloropyridine-2,6-dicarboxylate |
CAS: |
53389-01-8 |
Synonyms: |
4-chloropyridine-2,6-dicarboxylic acid diethyl ester; diethyl 4-chloropyridine-2,6-dicarboxylate |
IUPAC Name: | diethyl 4-chloropyridine-2,6-dicarboxylate |
Description: | Diethyl 4-Chloropyridine-2,6-dicarboxylate (CAS# 53389-01-8) is a chemical reagent used in the synthesis of luminescent lanthanide complexes. Also used in the production of metal chelating inhibitors against fructose 1,6-bisphosphate (FBP) aldolase in the treatment of infectious bacteria and fungi. |
Molecular Weight: | 257.67 |
Molecular Formula: | C11H12ClNO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)Cl |
InChI: | InChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3 |
InChI Key: | XQVRVZXJZVVBLW-UHFFFAOYSA-N |
Boiling Point: | 378.5 °C at 760 mmHg |
Density: | 1.266 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00215521 |
LogP: | 2.08840 |
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 |
WO-2020007966-A1 | Ultrabright luminescent lanthanide nanoparticles comprising terbium, with longer excited-state lifetime | 20180705 |
CN-112639051-A | Terbium-containing ultra-bright luminescent lanthanide nanoparticles with long excited state lifetime | 20180705 |
EP-3818131-A1 | Ultrabright luminescent lanthanide nanoparticles comprising terbium, with longer excited-state lifetime | 20180705 |
US-2021253950-A1 | Ultrabright luminescent lanthanide nanoparticles comprising terbium, with longer excited-state lifetime | 20180705 |
WO-2018171602-A1 | Urea compound as dual inhibitor of ido and tdo | 20170321 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.0454856 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.0454856 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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