Ethyl-2-methylnicotinat

Ethyl 2-methylnicotinate

HCID 74401CAS 1721-26-2

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Grundinformationen

Standard-SMILES: CCOC(=O)c1cccnc1C
InChIKey: TZORNSWZUZDUCU-UHFFFAOYSA-N
Summenformel: C9H11NO2
Durchschnittliche Molmasse: 165,19 g/mol
Monoisotopische Masse: 165,07897859

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-methylnicotinate
IUPAC: ethyl 2-methylpyridine-3-carboxylate
Lokaler Name: Ethyl-2-methylnicotinat
Englischer Name: Ethyl 2-methylnicotinate
Summenformel: C9H11NO2
Molmasse: 165.19

Namen und Synonyme

Ethyl 2-methylnicotinate1721-26-2Ethyl 2-methylpyridine-3-carboxylate3-Pyridinecarboxylic acid, 2-methyl-, ethyl esterF7SS2LF4HTEINECS 217-013-4DTXSID80169205NSC-521051ETHYL 2-METHYL-3-PYRIDINECARBOXYLATENSC 521051RefChem:138625DTXCID5091696

Weitere Namen anzeigen

2-methylnicotin ethyl esterEthyl 2-methylnicotiteethyle2-methylnicotinateEthyl 2-methylinicotinateEthyl2-Methylnicotinate>Ethyl2-methylnicotinate,97%Ethyl 2-methylnicotinate 98%

217-013-4TZORNSWZUZDUCU-UHFFFAOYSA-N2-Methylnicotinic Acid Ethyl Ester2-Methyl-nicotinic acid ethyl esterMFCD00006336Ethyl2-methylnicotinateUNII-F7SS2LF4HTSCHEMBL109206

Datenbank-Bezeichner

CAS: 1721-26-2
PubChem CID: 74401
DTXSID: DTXSID80169205
ChEMBL: CHEMBL217217
UNII: F7SS2LF4HT
EC Number: 217-013-4
Nikkaji: J149.516J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 146 · 146-147 °C
Siedepunkt: 126 · 126-127 °C24 mm Hg(lit.)
Dichte: 1.072 g/mL · 1.072 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.505(lit.)
Flammpunkt: 217 °F · 217 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 4.02 · 4.02±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to orange
Wasserlöslichkeit: Slightly soluble in water.
BRN: 118200 · 118200
InChI: InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChIKey: TZORNSWZUZDUCU-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1C(OCC)=O
CAS Datenbank: 1721 · 1721-26-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · Ethyl 2-methylnicotinate(1721-26-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (90.7%): 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 43 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 (90.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenEthyl 2-methylpyridine-3-carboxylate was used in the preparation of amino esters such as ethyl 2(piperidinylaminomethyl)benzoate, ethyl 2-(N-benzyl-N-methylaminomethyl)benzoate, ethyl 2-(diethylaminomethyl)benzoate.