Grundinformationen
- Standard-SMILES
Fc1ccc(Br)c(F)n1- InChIKey
GLWVPTDEVHPILQ-UHFFFAOYSA-N- Summenformel
- C5H2BrF2N
- Durchschnittliche Molmasse
- 193,98 g/mol
- Monoisotopische Masse
- 192,9338676
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromo-2,6-difluoropyridine
- IUPAC
- 3-bromo-2,6-difluoropyridine
- Englischer Name
- 3-Bromo-2,6-difluoropyridine
- Summenformel
- C5H2BrF2N
- Molmasse
- 193.98
Namen und Synonyme
3-Bromo-2,6-difluoropyridine80392-79-6DTXSID90599695RefChem:277253DTXCID40550453813-196-5MFCD11044274SCHEMBL9157488AKOS006307329CS-W005902DS-6742SY028971
Weitere Namen anzeigen
3-Bromo-2,6-difluoropyridine ISO 9001:2015 REACH
EN300-244564Pyridine, 3-bromo-2,6-difluoro-AM62469QC-6971FT-06856982,6-difluoro-5-bromopyridine3-bromo-2,6-difluoro-pyridineSCHEMBL18938681
Datenbank-Bezeichner
- CAS
80392-79-6- PubChem CID
- 19765739
- DTXSID
DTXSID90599695- EC Number
- 813-196-5
- Nikkaji
- J2.114.918G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 101
Physikochemische Eigenschaften
- Siedepunkt
- 180.9 · 180.9±35.0 °C(Predicted)
- Dichte
- 1.808 · 1.808±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -8.45 · -8.45±0.10(Predicted)
- Aggregatzustand
- liquid
- Farbe
- Yellow
- InChI
- InChI=1S/C5H2BrF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
- InChIKey
- GLWVPTDEVHPILQ-UHFFFAOYSA-N
- SMILES
- C1(F)=NC(F)=CC=C1Br
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 4 (50%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Anwendungen
Verwenden3-Bromo-2,6-difluoropyridine is mainly used as an intermediate in organic synthesis, especially in medicinal chemistry for the synthesis of biologically active compounds.
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