Ethyl 6-Bromopicolinate

HCID 2758810

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Grundinformationen

CAS: 21190-88-5
Standard-SMILES: CCOC(=O)c1cccc(Br)n1
InChIKey: OONBOXSIWCBAHZ-UHFFFAOYSA-N
Summenformel: C8H8BrNO2
Durchschnittliche Molmasse: 230,06 g/mol
Monoisotopische Masse: 228,9738406

Namen und Bezeichner

Bevorzugter Name: Ethyl 6-Bromopicolinate
IUPAC: ethyl 6-bromopyridine-2-carboxylate
Englischer Name: Ethyl 6-bromopicolinate
Summenformel: C8H8BrNO2
Molmasse: 230.06

Namen und Synonyme

ethyl 6-bromopicolinateRefChem:595931673-818-421190-88-5ethyl 6-bromopyridine-2-carboxylate6-Bromopyridine-2-carboxylic acid ethyl esterEthyl 6-bromo-2-pyridinecarboxylateMFCD041169136-Bromopicolinic Acid Ethyl Esterethyl-6-bromo-2-pyridinecarboxylateSCHEMBL1980546-bromo-pyridine-2-carboxylic acid ethyl ester

Weitere Namen anzeigen

RARECHEM AL BI 08992,5-Difluoro-5-iodopyridine2-Bromo-6-(ethoxycarbonyl)pyridine6-BROMOPYRIDINE-2-ETHYL CARBOXYLATEMETHYL 2-BROMOPYRIDINE-6-CARBOXYLATE

2-Bromo-6-pyridine-carboxylic acid ethyl esterZ12093885852-Pyridinecarboxylic acid, 6-bromo-, ethyl esterethyl-6-bromopicolinateethyl6-bromopyridine-2-carboxylateethyl6-bromopicolinateEthyl 6-Bromo-2-picolinateSCHEMBL29911292

Datenbank-Bezeichner

CAS: 21190-88-5
PubChem CID: 2758810
DTXSID: DTXSID00374495
EC Number: 673-818-4
Nikkaji: J980.830B

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: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 41 · 41-42°C
Siedepunkt: 302.7 · 302.7±22.0 °C(Predicted)
Dichte: 1.501 · 1.501±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -0.89 · -0.89±0.10(Predicted)
Aggregatzustand: solid
Farbe: Off-white
CAS Datenbank: 21190 · 21190-88-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (40%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36
hazard_code: Xi
safety_code: 26

Chemie und Industrie

Anwendungen

Verwendenethyl 6-bromopicolinate is a model compound for the preliminary screening of dimerization reaction.

Darstellung · 1 Eintrag

synthetischeEthyl 6-bromopicolinate was prepared by monolithiation of 2,6-dibromopyridine followed by a reaction with ethyl formate and subsequently by a reaction with iodine in ethanol (Scheme 57). This three-step procedure furnished the required ethyl 6-bromopicolinate in 45% yield.Synthesis of Ethyl 6-bromopicolinate