Ethyl 6-chloronicotinate

HCID 2799611

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Grundinformationen

CAS: 49608-01-7
Standard-SMILES: CCOC(=O)c1ccc(Cl)nc1
InChIKey: ILDJJTQWIZLGPO-UHFFFAOYSA-N
Summenformel: C8H8ClNO2
Durchschnittliche Molmasse: 185,61 g/mol
Monoisotopische Masse: 185,0243562

Namen und Bezeichner

Bevorzugter Name: Ethyl 6-chloronicotinate
IUPAC: ethyl 6-chloropyridine-3-carboxylate
Englischer Name: Ethyl 6-chloronicotinate
Summenformel: C8H8ClNO2
Molmasse: 185.61

Namen und Synonyme

Ethyl 6-chloronicotinate49608-01-73-PYRIDINECARBOXYLIC ACID, 6-CHLORO-, ETHYL ESTERDTXSID60384090RefChem:344552DTXCID70335114610-463-6Ethyl 6-chloropyridine-3-carboxylate6-chloronicotinic acid ethyl esterEthyl 6-chloro-3-pyridinecarboxylate6-chloro-nicotinic acid ethyl esterMFCD00082739

Weitere Namen anzeigen

6-chloro ethyl sMokeEthyl 6-chloronicoti6-Chloronictinic AcidEthyl 6-chloronicotitethyl 6-chloronicotinateEthyl6-Chloronicotinate>Ethyl6-chloronicotinate,97%Ethyl 6-Chloro-3-nicotinate

ethyl 2-chloro-5-pyridinecarboxylateEthyl6-chloronicotinate6-chloro nicotinic acid ethyl esterEthyl-6-chloronicotinateEthyl 6-chloronicotinoateethyl 6-chloro nicotinateethyl 6-chloro-nicotinateethyl-6-chloro-nicotinate

Datenbank-Bezeichner

CAS: 49608-01-7
PubChem CID: 2799611
DTXSID: DTXSID60384090
UNII: 67M9L9VQH4
EC Number: 610-463-6
Nikkaji: J1.555.222K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 26 · 26-30 °C(lit.)
Siedepunkt: 98 °C · 98 °C
Dichte: 1.245 · 1.245±0.06 g/cm3(Predicted)
Brechungsindex: 1.522 · 1.522
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -1.95 · -1.95±0.10(Predicted)
Farbe: Colourless to Off-White Oil
BRN: 4742175 · 4742175
InChI: 1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChIKey: ILDJJTQWIZLGPO-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(Cl)nc1
CAS Datenbank: 49608 · 49608-01-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.