Pyridine, 4-chloro-3-methoxy-2-methyl-, 1-oxide

HCID 5083929CAS 122307-41-9
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(Cl)cc[n+]([O-])c1C
InChIKey
TWXMQDRFBLSXFN-UHFFFAOYSA-N
Molecular formula
C7H8ClNO2
Average molar mass
173.6 g/mol
Monoisotopic mass
173.0243562

Names & identifiers

Preferred name
Pyridine, 4-chloro-3-methoxy-2-methyl-, 1-oxide
IUPAC
4-chloro-3-methoxy-2-methyl-1-oxidopyridin-1-ium
English name
4-Chloro-3-methoxy-2-methylpyridine N-oxide
Molecular formula
C7H8ClNO2
Molecular weight
173.6

Names & synonyms

Pyridine, 4-chloro-3-methoxy-2-methyl-, 1-oxideRefChem:8706794-Chloro-3-methoxy-2-methylpyridine N-oxide122307-41-94-Chloro-3-methoxy-2-methylpyridine 1-oxide4-chloro-3-methoxy-2-methyl-1-oxidopyridin-1-iumMFCD030939952-methyl-3-methoxy-4-chloropyridine N-oxide4-Chloro-2-methyl-3-methoxypyridine N-oxide; 4-Chloro-3-methoxy-2-methylpyridine N-oxide4-chloro-3-methoxy-2-methylpyridine-N-oxideEC 602-491-2SCHEMBL317432
Show more names
Pantoprazole Impurity 24Pantoprazole Impurity 33Intermediate of pantoprazole sodium4-CHLORO-3-METHOXY-2-METHYLPYRIDINE N-OX4-CHLORO-3-METHOXY-2-ETHYLPYRIDINE N-OXIDE2-Methyl-3-methoxy-4-chloropyridine-N-oxide4-CHLORO-2-METHYL-3-METHOXYPYRIDINE-N-OXIDE2-METHYLPYRIDINE-3-METHOXY-4-CHLORO-N-OXIDE4-Chloro-3-Methoxy-2-Methyl-Pyridine-1-Oxide
Pantoprazole Sodium Impurity 11SCHEMBL30297897DTXSID10408154TWXMQDRFBLSXFN-UHFFFAOYSA-NZB1366AKOS015891516AC-8440FC09547

Database identifiers

CAS
122307-41-9
PubChem CID
5083929
DTXSID
DTXSID10408154
Nikkaji
J2.485.368C

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
34.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
96 · 96-100 °C (lit.)
Boiling point
346.2 · 346.2±37.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
form
Solid

Safety & regulation

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2933399990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4-Chloro-3-methoxy-2-methylpyridine N-oxide (cas# 122307-41-9) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

7 records
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Linked notes

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