Basic information
- CAS
848694-10-0- Standard SMILES
COc1c(C)c[n+]([O-])c(CCl)c1C- InChIKey
LWEDMPDRWLOJDD-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Names & identifiers
- Preferred name
- 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide
- IUPAC
- 2-(chloromethyl)-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium
- English name
- 2-ChloroMethyl-4-Methoxy-3,5-diMethylpyridine 1-Oxide
- Molecular formula
- C9H12ClNO2
- Molecular weight
- 201.65
Names & synonyms
848694-10-02-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine 1-oxide2-(chloromethyl)-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-iumEsomeprazole Impurity 3LWEDMPDRWLOJDD-UHFFFAOYSA-NMFCD279297192-(CHLOROMETHYL)-4-METHOXY-3,5-DIMETHYLPYRIDIN-1-IUM-1-OLATESCHEMBL311495DTXSID00619373Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, 1-oxideAKOS037649269
Show more names
Esomeprazole Impurity 38Ace chloride nitrogen oxide control2 - (CHLOROMETHYL) -4 - METHOXY - 3,5 - DIMETHYL2-Chloromethyl-3,5-Dimethyl-4-Methoxypyridine-N-OxideEsomeprazole impurity 8/2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide2,9-dimethoxy-1,3-dimethyl-12-thioxo-12H-benzo[4',5']imidazo[2',1':2,3]imidazo[1,5-a]pyridin-5-ium
22F262UE45FC20278BS-17718DB-3032422-(chloromethyl)-4-methoxy-3,5-dimethylpyridine1-oxide2-(Chloromethyl)-4-methoxy-35-dimethylpyridine 1-oxide2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine-1-oxide2-(CHLOROMETHYL)-4-METHOXY-3,5-DIMETHYL-1-OXIDOPYRIDIN-1
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 383.5 · 383.5±37.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- Dichloromethane
- form
- Brown Semi-Solid
- pka
- 2.22 · 2.22±0.10(Predicted)
- InChI
- InChI=1S/C9H12ClNO2/c1-6-5-11(12)8(4-10)7(2)9(6)13-3/h5H,4H2,1-3H3
- InChIKey
- LWEDMPDRWLOJDD-UHFFFAOYSA-N
- SMILES
- C1(CCl)[N+]([O-])=CC(C)=C(OC)C=1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediate in the production of the antiulcer agent Omeprazole
Upstream & downstream products
Upstream raw materials
Suppliers60 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
2 records
Compound notes
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