2,3-Dimethoxypyridine

HCID 4657809

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Basic information

CAS: 52605-97-7
Standard SMILES: COc1cccnc1OC
InChIKey: QHUHPERZCBUMRK-UHFFFAOYSA-N
Molecular formula: C7H9NO2
Average molar mass: 139.15 g/mol
Monoisotopic mass: 139.06332853

Names & identifiers

Preferred name: 2,3-Dimethoxypyridine
IUPAC: 2,3-dimethoxypyridine
English name: 2,3-Dimethoxypyridine
Molecular formula: C7H9NO2
Molecular weight: 139.15

Names & synonyms

2,3-Dimethoxypyridine52605-97-7DTXSID50405309RefChem:442456DTXCID70356162676-530-7PYRIDINE, 2,3-DIMETHOXY-MFCD030950432,3-Dimethoxy-pyridine;dimethoxypyridine2,3-dimethoxy-pyridineSCHEMBL63365

Show more names

2,3-Dimethoxypyridine 96%2,3-Dimethoxypyridine ,98%2,3-Dimethoxypyridine ISO 9001：2015 REACH

Pyridine, 2,?3-?dimethoxy-SCHEMBL2067567SCHEMBL2264178SCHEMBL2405925SCHEMBL7055362SCHEMBL29612256QHUHPERZCBUMRK-UHFFFAOYSA-NAKOS006223401

Database identifiers

CAS: 52605-97-7
PubChem CID: 4657809
DTXSID: DTXSID50405309
EC Number: 676-530-7
Nikkaji: J328.334H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 97

Physicochemical properties

Melting point: 121 · 121-122 °C
Boiling point: 98 · 98-100°C 16mm
Density: 1 · 1,104 g/cm3
refractive index: 1.5205 · 1.5205
Flash point: 98 · 98-100°C/16mm
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Ethyl Acetate
form: Yellow Liquid
pka: 4.7 · 4.70±0.10(Predicted)
Appearance: Colorless to light yellow Solid-Liquid Mixture
BRN: 1526067 · 1526067
CAS DataBase Reference: 52605 · 52605-97-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37-36/37
HazardClass: IRRITANT
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.