Methyl 4-methoxypyridine-2-carboxylate

HCID 1519345

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Grundinformationen

CAS: 29681-43-4
Standard-SMILES: COC(=O)c1cc(OC)ccn1
InChIKey: OJDKENGKKYVJLY-UHFFFAOYSA-N
Summenformel: C8H9NO3
Durchschnittliche Molmasse: 167,16 g/mol
Monoisotopische Masse: 167,05824315

Namen und Bezeichner

Bevorzugter Name: Methyl 4-methoxypyridine-2-carboxylate
IUPAC: methyl 4-methoxypyridine-2-carboxylate
Englischer Name: 4-Methoxy-pyridine-2-carboxylic acid methyl ester
Summenformel: C8H9NO3
Molmasse: 167.16

Namen und Synonyme

29681-43-4Methyl 4-methoxypyridine-2-carboxylate2-Pyridinecarboxylic acid, 4-methoxy-, methyl esterDTXSID50364008RefChem:816510DTXCID90315054685-565-7methyl 4-methoxypicolinate4-Methoxy-pyridine-2-carboxylic acid methyl esterMFCD00956223METHYL 4-METHOXY-2-PYRIDINECARBOXYLATE4-METHoxypyrIDINE-2-CARBOXYLIC ACID methyl ESTER

Weitere Namen anzeigen

methyl 4-methoxypyridin-2-carboxyateMethyl4-Methoxypyridine-2-carboxylate>Methyl 4-methoxypyridine-2-carboxylate 97%4-Methoy pyridine-2-carboxylic acid methyl ester4-METHOXY-2-PYRIDINE CARBOXYLIC ACID METHYL ESTER

Methyl4-methoxypyridine-2-carboxylate4-Methoxypyridine-2-carboxylic Acid Methyl Ester; Methyl 4-(Methyloxy)-2-pyridinecarboxylate; Methyl 4-Methoxy-2-picolinate; Methyl 4-Methoxypicolinate; Methyl 4-Methoxypyridine-2-carboxylate4-Methoxypicolinic Acid Methyl Ester4-methoxy-pyridine-2-carboxylicacidmethylester4-Methoxy-pyridine-2-carboxylic acid metyl esterSCHEMBL1703544SCHEMBL31175929OJDKENGKKYVJLY-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 29681-43-4
PubChem CID: 1519345
DTXSID: DTXSID50364008
EC Number: 685-565-7
Nikkaji: J3.401.804I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 48,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50
Siedepunkt: 280.4 · 280.4±20.0 °C(Predicted)
Dichte: 1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Very Slightly)
Aggregatzustand: Solid
pka: 2.44 · 2.44±0.10(Predicted)
Farbe: Pale Yellow
InChI: InChI=1S/C8H9NO3/c1-11-6-3-4-9-7(5-6)8(10)12-2/h3-5H,1-2H3
InChIKey: OJDKENGKKYVJLY-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=CC(OC)=C1
CAS Datenbank: 29681 · 29681-43-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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 3 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
hazard_code: Xi
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenMethyl 4-methoxypicolinate is a useful intermediate for the synthesis of substituted terpyridine ligands for use in protein purification.