Ethyl-2-pyridylacetat

Ethyl 2-pyridylacetate

HCID 75960CAS 2739-98-2

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Grundinformationen

Standard-SMILES: CCOC(=O)Cc1ccccn1
InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
Summenformel: C9H11NO2
Durchschnittliche Molmasse: 165,19 g/mol
Monoisotopische Masse: 165,07897859

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-pyridylacetate
IUPAC: ethyl 2-pyridin-2-ylacetate
Lokaler Name: Ethyl-2-pyridylacetat
Englischer Name: Ethyl 2-pyridylacetate
Summenformel: C9H11NO2
Molmasse: 165.19

Namen und Synonyme

Ethyl 2-pyridylacetate2739-98-2DTXSID90181817EINECS 220-365-1NSC 82347RefChem:594517DTXCID30104308220-365-1ethyl 2-(pyridin-2-yl)acetateEthyl pyridine-2-acetateethyl 2-pyridin-2-ylacetateMFCD00006359

Weitere Namen anzeigen

2-Pyridyl ethyl acetateEthyl2-Pyridylacetate>Ethyl2-pyridylacetate,98%Ethyl 2-pyridylacetate 98%Ethyl 2-Pyridylacetate,>97%

2-Pyridineacetic Acid Ethyl Ester2-Pyridineacetic acid, ethyl esterethyl 2-(2-pyridyl)acetateEthyl (pyridin-2-yl)acetateEthyl 2-pyridineacetate2-Pyridylacetic Acid Ethyl Esterethyl pyrid-2-ylacetate3YNQ9EN6RL

Datenbank-Bezeichner

CAS: 2739-98-2
PubChem CID: 75960
DTXSID: DTXSID90181817
UNII: 3YNQ9EN6RL
EC Number: 220-365-1
Nikkaji: J157K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-137 °C
Siedepunkt: 70 °C/0.05 · 70 °C/0.05 mmHg (lit.)
Dichte: 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.497(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in DCM, Methanol
pka: 4.45 · 4.45±0.12(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow
Wasserlöslichkeit: Soluble in water.
BRN: 123817 · 123817
InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
SMILES: C1(CC(OCC)=O)=NC=CC=C1
CAS Datenbank: 2739 · 2739-98-2(CAS DataBase Reference)

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 44 reports by companies from 4 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: 29333999
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenEthyl 2-pyridineacetate is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.