5-Bromo-2-fluoropyridine

HCID 2783168CAS 766-11-0

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Grundinformationen

Standard-SMILES: Fc1ccc(Br)cn1
InChIKey: MYUQKYGWKHTRPG-UHFFFAOYSA-N
Summenformel: C5H3BrFN
Durchschnittliche Molmasse: 175,99 g/mol
Monoisotopische Masse: 174,94328942

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-fluoropyridine
IUPAC: 5-bromo-2-fluoropyridine
Englischer Name: 5-Bromo-2-fluoropyridine
Summenformel: C5H3BrFN
Molmasse: 175.99

Namen und Synonyme

5-Bromo-2-fluoropyridine766-11-02-Fluoro-5-bromopyridineDTXSID40382478RefChem:102127DTXCID60333503629-380-13-bromo-6-fluoropyridine5-bromo-2-fluoro-pyridinePyridine, 5-bromo-2-fluoro-MFCD018637425-Bromo-2-fluoropyridine, 99%

Weitere Namen anzeigen

5-Brom-2-fluorpyridin5-BROMO-2-FLUO2-Fluoro-5-bromopyri2-FLUORO-5-BORMOPYRIDINE3-fluoro-5-bromopyridine2-Floro-5-Bromo Pyridine2-FLUORO-5-BROMO PYRIDINE5-Bromo-2-fluoropyridine>

AC-7427CL-0780PB30707EN300-62001Z9770357423-Bromo-6-fluoropyridine; 5-Bromo-2-fluoropyridineBCP22215AM20070047

Datenbank-Bezeichner

CAS: 766-11-0
PubChem CID: 2783168
DTXSID: DTXSID40382478
UNII: 6NT3Z783TZ
EC Number: 629-380-1
Nikkaji: J1.309.714C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78,8

Physikochemische Eigenschaften

Siedepunkt: 162 · 162-164 °C750 mm Hg(lit.)
Dichte: 1.71 g/mL · 1.71 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.5325(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: -2.79 · -2.79±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless yellow
Wichte: 1.71 · 1.710
BRN: 1363171 · 1363171
InChI: InChI=1S/C5H3BrFN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey: MYUQKYGWKHTRPG-UHFFFAOYSA-N
SMILES: C1(F)=NC=C(Br)C=C1
CAS Datenbank: 766 · 766-11-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (11.5%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (11.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN2810
hs_code: 29339900
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37-37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Bromo-2-fluoropyridine is used in the synthesis of heteroaromatic and aniline derivatives of piperidines as potent ligands used for vesicular acetylcholine transport. Also used in the synthesis of benzofurano[3,2-d]pyrimidin-2-one derived inhbitors.