2,6-Dichloropyridine N-oxide - CAS 2587-00-0
Catalog: |
BB019055 |
Product Name: |
2,6-Dichloropyridine N-oxide |
CAS: |
2587-00-0 |
Synonyms: |
2,6-dichloro-1-oxidopyridin-1-ium |
IUPAC Name: | 2,6-dichloro-1-oxidopyridin-1-ium |
Description: | 2,6-Dichloropyridine N-oxide (CAS# 2587-00-0) is a compound useful in organic synthesis. |
Molecular Weight: | 163.99 |
Molecular Formula: | C5H3Cl2NO |
Canonical SMILES: | C1=CC(=[N+](C(=C1)Cl)[O-])Cl |
InChI: | InChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H |
InChI Key: | RFOMGVDPYLWLOC-UHFFFAOYSA-N |
Boiling Point: | 344.2 ℃ at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 1.47 g/cm3 |
Appearance: | Orange-yellow crystals |
MDL: | MFCD00130246 |
LogP: | 2.42190 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110818541-A | Preparation method of (E) -1-aryl-4, 4, 4-trifluorobutan-2-en-1-one compound | 20191114 |
CN-110818541-B | Preparation method of (E) -1-aryl-4, 4, 4-trifluorobutan-2-en-1-one compound | 20191114 |
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KR-20210002452-A | Non-aqueous electrolyte secondary battery | 20180425 |
JP-WO2019208153-A1 | Non-aqueous electrolyte secondary battery | 20180425 |
PMID | Publication Date | Title | Journal |
16749842 | 20060612 | Fast catalytic hydroxylation of hydrocarbons with ruthenium porphyrins | Inorganic chemistry |
15977282 | 20050819 | Site-isolated porphyrin catalysts in imprinted polymers | Chemistry (Weinheim an der Bergstrasse, Germany) |
15812875 | 20050620 | Dichlororuthenium(IV) complex of meso-tetrakis(2,6-dichlorophenyl)porphyrin: active and robust catalyst for highly selective oxidation of arenes, unsaturated steroids, and electron-deficient alkenes by using 2,6-dichloropyridine N-oxide | Chemistry (Weinheim an der Bergstrasse, Germany) |
15669763 | 20040901 | Biomimetic oxidation of unactivated carbons in steroids by a model of cytochrome P-450, oxorutheniumporphyrinate complex | Lipids |
15034624 | 20040407 | The remote-oxyfunctionalization of unactivated carbons in (5 beta)-3-oxobile acids by 2,6-dichloropyridine N-oxide catalyzed by ruthenium-porphyrin and HBr: a direct lactonization at C-20 | Organic & biomolecular chemistry |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.9591691 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.9591691 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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