Ethyl 2-Chloro-6-methylisonicotinate

HCID 22625009

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Grundinformationen

CAS: 3998-88-7
Standard-SMILES: CCOC(=O)c1cc(C)nc(Cl)c1
InChIKey: UMAAIDIASQFLTF-UHFFFAOYSA-N
Summenformel: C9H10ClNO2
Durchschnittliche Molmasse: 199,63 g/mol
Monoisotopische Masse: 199,04000624

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-Chloro-6-methylisonicotinate
IUPAC: ethyl 2-chloro-6-methylpyridine-4-carboxylate
Englischer Name: Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%
Summenformel: C9H10ClNO2
Molmasse: 199.63

Namen und Synonyme

ethyl 2-chloro-6-methylisonicotinateRefChem:594296670-297-53998-88-7ETHYL 2-CHLORO-6-METHYLPYRIDINE-4-CARBOXYLATE2-Chloro-6-methylpyridine-4-carboxylic acid ethyl esterMFCD09842151ethyl 2-chloro-6-methyl-4-pyridinecarboxylate2-chloro-6-methylisonicotinic acid ethyl ester2-chloro-6-methyl-isonicotinic acid ethyl esterSCHEMBL1179728DTXSID70627046

Weitere Namen anzeigen

Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%4-Pyridinecarboxylic acid, 2-chloro-6-Methyl-, ethyl esterJR-14076, Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%

UMAAIDIASQFLTF-UHFFFAOYSA-Nethyl2-chloro-6-methylisonicotinateSBB065620AKOS015891753CS-W010497DS-16894SY006034DB-027613

Datenbank-Bezeichner

CAS: 3998-88-7
PubChem CID: 22625009
DTXSID: DTXSID70627046
EC Number: 670-297-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-67°C
Siedepunkt: 107 °C/1.5mm · 107°C/1.5mm
Dichte: 1 · 1+-.0.06 g/cm3(Predicted)
Flammpunkt: 107 °C/1.5mm · 107°C/1.5mm
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -0.14 · -0.14±0.10(Predicted)
Farbe: White to Almost white
InChI: 1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)11-8(10)5-7/h4-5H,3H2,1-2H3
InChIKey: UMAAIDIASQFLTF-UHFFFAOYSA-N
SMILES: O=C(OCC)C1=CC(Cl)=NC(C)=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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.