2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester

HCID 10921141CAS 41337-81-9

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Grundinformationen

Standard-SMILES: CCOC(=O)c1cccc(CO)n1
InChIKey: CDFOARSBQKJGNL-UHFFFAOYSA-N
Summenformel: C9H11NO3
Durchschnittliche Molmasse: 181,19 g/mol
Monoisotopische Masse: 181,07389321

Namen und Bezeichner

Bevorzugter Name: 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester
IUPAC: ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
Englischer Name: 6-Hydroxymethyl-pyridine-2-carboxylic acid ethyl ester
Summenformel: C9H11NO3
Molmasse: 181.19

Namen und Synonyme

Ethyl 6-(hydroxymethyl)picolinate2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl esterRefChem:483398609-909-2691-859-641337-81-9Ethyl 6-(hydroxymethyl)pyridine-2-carboxylateMFCD097500096-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERethyl 6-(hydroxymethyl)-2-pyridinecarboxylateSCHEMBL536661DTXSID00448367

Weitere Namen anzeigen

Ethyl 6-(hydroxymethyl)2-HYDROXYMETHYLPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER ISO 9001：2015 REACH

CDFOARSBQKJGNL-UHFFFAOYSA-NSBB053815AKOS006326901SB53370SY065630TS-00205DB-070179ethyl 6-hydroxymethylpyridine-2-carboxylate

Datenbank-Bezeichner

CAS: 41337-81-9
PubChem CID: 10921141
DTXSID: DTXSID00448367
EC Number: 609-909-2、691-859-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 59,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Siedepunkt: 337.1 · 337.1±32.0 °C(Predicted)
Dichte: 1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.02 · 13.02±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).；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.