Methyl 6-bromopyridine-2-carboxylate

HCID 16217886

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Grundinformationen

CAS: 26218-75-7
Standard-SMILES: COC(=O)c1cccc(Br)n1
InChIKey: SGNCOKUHMXLGAH-UHFFFAOYSA-N
Summenformel: C7H6BrNO2
Durchschnittliche Molmasse: 216,03 g/mol
Monoisotopische Masse: 214,95819053

Namen und Bezeichner

Bevorzugter Name: Methyl 6-bromopyridine-2-carboxylate
IUPAC: methyl 6-bromopyridine-2-carboxylate
Englischer Name: Methyl 6-bromopicolinate
Summenformel: C7H6BrNO2
Molmasse: 216.03

Namen und Synonyme

26218-75-7Methyl 6-bromopyridine-2-carboxylateMethyl 6-bromo-2-pyridinecarboxylateDTXSID50584623RefChem:817331DTXCID60535388627-687-5Methyl 6-bromopicolinate6-Bromopyridine-2-carboxylic Acid Methyl Ester6-Bromopicolinic acid methyl esterMethyl-6-bromopyridine-2-carboxylate2-PYRIDINECARBOXYLIC ACID, 6-BROMO-, METHYL ESTER

Weitere Namen anzeigen

Methyl-2-Bromo pyridine-6-carboxilateRARECHEM AL BF 08996-Bromopyridine-2-carboxyL6-Bromopyridine-2-carboxylateMethyl 6-broMo-2-pyridinecarboxylatMethyl 6-Bromoyridine-2-carboxylateMethy16-bromopyridine-2-carboxylate

MFCD06203934Methyl6-bromopicolinatePS-4896AC-249552-BROMO-6-NICOTINIC ACID METHYL ESTERmethyl-6-bromopicolinateBCP21665methyl 6-bromo-pyrid

Datenbank-Bezeichner

CAS: 26218-75-7
PubChem CID: 16217886
DTXSID: DTXSID50584623
EC Number: 627-687-5
Nikkaji: J149.544E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-96 °C(lit.)
Siedepunkt: 289.7 · 289.7±20.0 °C(Predicted)
Dichte: 1.579 · 1.579±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
pka: -1.03 · -1.03±0.10(Predicted)
Aggregatzustand: Crystalline Powder or Needles
Farbe: White to pale pink to pale brown to yellow
InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
InChIKey: SGNCOKUHMXLGAH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Br)=CC=C1
CAS Datenbank: 26218 · 26218-75-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 7 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: 29333990
risk_code: 37/38-41
hazard_code: Xi
hazard_note: Harmful/Irritant/Keep Cold
safety_code: 26-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 6-bromopicolinate, also known as Methyl 6-bromopyridine-2-carboxylate, is a halogenated pyridine derivative that can be used in esterolysis reactions to form 6-Bromopicolinic acid.It can also be used in substitution reactions or cross-couplings to synthesise other pyridine compounds.