Methyl 5-hydroxypyridine-2-carboxylate

HCID 4715126

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Grundinformationen

CAS: 30766-12-2
Standard-SMILES: COC(=O)c1ccc(O)cn1
InChIKey: YYAYXDDHGPXWTA-UHFFFAOYSA-N
Summenformel: C7H7NO3
Durchschnittliche Molmasse: 153,14 g/mol
Monoisotopische Masse: 153,04259308

Namen und Bezeichner

Bevorzugter Name: Methyl 5-hydroxypyridine-2-carboxylate
IUPAC: methyl 5-hydroxypyridine-2-carboxylate
Englischer Name: 5-HYDROXY-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
Summenformel: C7H7NO3
Molmasse: 153.14

Namen und Synonyme

30766-12-2methyl 5-hydroxypyridine-2-carboxylateDTXSID80405832RefChem:817113DTXCID90356684857-630-1Methyl 5-hydroxypicolinate5-Hydroxy-pyridine-2-carboxylic acid methyl esterMFCD052564262-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTERMETHYL 5-HYDROXY-2-PYRIDINECARBOXYLATESCHEMBL164488

Weitere Namen anzeigen

H57157Methyl 5-hydroxypyridine-...Methyl 5-hydroxy-2-picolinateMethyl 5-hydroxypyridine-2-ca5-HDROXY-PYRIDINE-2-CARBOXYLIC ACID METHYMethyl 5-hydroxypyridine-2-carboxylate ,97%Methyl 5-hydroxypyridine-2-carboxylate 95+%

5-hydroxypicolinic acid methyl ester5-HYDROXY-2-PYRIDINECARBOXYLIC ACID METHYL ESTERAS-5315EN300-316372methyl 5-hydroxypicolinate;H571575-Hydroxypyridine-2-carboxylic acid methyl esterorb1303263SCHEMBL31463324

Datenbank-Bezeichner

CAS: 30766-12-2
PubChem CID: 4715126
DTXSID: DTXSID80405832
EC Number: 857-630-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
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: 193.5 · 193.5-195.5℃
Siedepunkt: 374.2 · 374.2±22.0 °C(Predicted)
Dichte: 1.287 · 1.287±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
pka: 8.29 · 8.29±0.10(Predicted)
Farbe: Pale yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.