2-Chloro-4-methylpyridine 1-oxide

HCID 12487484
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Basic information

CAS
52313-61-8
Standard SMILES
Cc1cc[n+]([O-])c(Cl)c1
InChIKey
CTRINZIZOOSLLD-UHFFFAOYSA-N
Molecular formula
C6H6ClNO
Average molar mass
143.57 g/mol
Monoisotopic mass
143.01379149

Names & identifiers

Preferred name
2-Chloro-4-methylpyridine 1-oxide
IUPAC
2-chloro-4-methyl-1-oxidopyridin-1-ium
English name
2-Chloro-4-Methylpyridine 1-oxide
Molecular formula
C6H6ClNO
Molecular weight
143.57

Names & synonyms

2-Chloro-4-methylpyridine 1-oxide52313-61-82-chloro-4-methyl-1-oxidopyridin-1-ium2-chloro-4-methylpyridin-1-ium-1-olate2-Chloro-4-methylpyridine1-oxideSCHEMBL942792DTXSID50500085CTRINZIZOOSLLD-UHFFFAOYSA-N2-chloro-4-methylpyridine-N-oxide2-chloro-4-methyl-pyridine 1-oxideAB6864MFCD16620266
Show more names
2-Chloro-4-picoline 1-oxidePyridine, 2-chloro-4-methyl-, 1-oxide
AKOS016006725SB54946AS-44805DB-3301072-Chloro-4-methyl-1-oxo-1lambda~5~-pyridineEN300-132254

Database identifiers

CAS
52313-61-8
PubChem CID
12487484
DTXSID
DTXSID50500085

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
25.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Boiling point
322 ℃ · 322℃
Density
1.22 · 1.22
Flash point
149 ℃ · 149℃
pka
-0.12 · -0.12±0.10(Predicted)

Chemistry & industry

Suppliers8 total

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]

Related reactions

10 records
New reaction record

Compound notes

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