4-Methoxypyridine-2-carboxylic acid

HCID 2050099

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Grundinformationen

CAS: 29082-91-5
Standard-SMILES: COc1ccnc(C(=O)O)c1
InChIKey: UELRAKDBDJRXST-UHFFFAOYSA-N
Summenformel: C7H7NO3
Durchschnittliche Molmasse: 153,14 g/mol
Monoisotopische Masse: 153,04259308

Namen und Bezeichner

Bevorzugter Name: 4-Methoxypyridine-2-carboxylic acid
IUPAC: 4-methoxypyridine-2-carboxylic acid
Englischer Name: 4-METHOXYPYRIDINE-2-CARBOXYLIC ACID
Summenformel: C7H7NO3
Molmasse: 153.14

Namen und Synonyme

4-methoxypyridine-2-carboxylic AcidRefChem:524835689-335-74-Methoxypicolinic acid29082-91-54-Methoxy-pyridine-2-carboxylic acid2-Pyridinecarboxylic acid, 4-methoxy-MFCD041157164-METHOXY-2-PYRIDINECARBOXYLIC ACIDHMS1655L15CS-W005027PS-4893

Weitere Namen anzeigen

Zinc02456124IFLAB-BB F1926-00184-Methoxypicolinicaci4-methoxy-2-pyridinecarboxylate4-Methoxypyridine-2-carboxylic acid 98%4-Methoxypyridine-2-carboxylic acid ,97%

AC-232174-METHOXYPYRIDINE-2-CARBOXYLICACID4-Methoxy Picolinic Acid4-MethoxypicolinicacidAM20051043SCHEMBL1023538SCHEMBL7409975SCHEMBL8924864

Datenbank-Bezeichner

CAS: 29082-91-5
PubChem CID: 2050099
DTXSID: DTXSID60365985
EC Number: 689-335-7
Nikkaji: J2.677.200A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 59,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 197 · 197-198°C
Siedepunkt: 330.9 · 330.9±22.0 °C(Predicted)
Dichte: 1.284 · 1.284±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder
pka: 1.13 · 1.13±0.50(Predicted)
Farbe: Off-white
InChI: InChI=1S/C7H7NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey: UELRAKDBDJRXST-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=CC(OC)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Methoxy-2-pyridinecarboxylic Acid is an intermediate to prepare diacid analogs as glycogen phosphorylase inhibitors. It is also used to prepare allyl phenylethyl ether via ruthenium-pyridinecarboxylic acid-catalyzed allylation.