2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine

HCID 819992

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Basic information

CAS: 84006-10-0
Standard SMILES: COc1c(C)cnc(CCl)c1C
InChIKey: SRKVJDYNPSMHJM-UHFFFAOYSA-N
Molecular formula: C9H12ClNO
Average molar mass: 185.65 g/mol
Monoisotopic mass: 185.06074168

Names & identifiers

Preferred name: 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine
IUPAC: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
English name: 2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine
Molecular formula: C9H12ClNO
Molecular weight: 185.65

Names & synonyms

2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-02-Chloromethyl-3,5-dimethyl-4-methoxypyridine2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridineNH3A66X6A6DTXSID70356147RefChem:84631DTXCID80307206617-518-3MFCD03265239Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-2-(chloromethyl)-4-methoxy-3,5-dimethyl-pyridine

Show more names

2-CHLORO METHYL-3,5-DIMETHYL-4-METHOXY PTENA-004Esomeprazole Impurity 832-Chloromethyl-3-,5-Dimethyl-4-Omeprazole related compound impurities2-(Chloromethyl)-4-methoxy-3,5-lutidine2-Chloromethyl-3,5-dimethyl-4-methoxypyr

2-chloromethyl-4-methoxy-3,5-dimethyl-pyridineEsomeprazole Impurity 1012-chloromethyl-4-methoxy-3,5-dimethylpyridineUNII-NH3A66X6A62-(chloromethyl)-4-methoxy-3, 5-dimethylpyridineSCHEMBL1160150SCHEMBL29546790SRKVJDYNPSMHJM-UHFFFAOYSA-N

Database identifiers

CAS: 84006-10-0
PubChem CID: 819992
DTXSID: DTXSID70356147
UNII: NH3A66X6A6
EC Number: 617-518-3
Nikkaji: J1.569.412B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Physicochemical properties

Boiling point: 272.2 · 272.2±35.0 °C(Predicted)
Density: 1.112 · 1.112±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 5.56 · 5.56±0.40(Predicted)
CAS DataBase Reference: 84006 · 84006-10-0(CAS DataBase Reference)
FDA UNII: 3 A66X6A6 · NH3A66X6A6
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.