6-Bromopyridine-2-carbaldehyde
Grundinformationen
- CAS
34160-40-2- Standard-SMILES
O=Cc1cccc(Br)n1- InChIKey
QWFHFNGMCPMOCD-UHFFFAOYSA-N- Summenformel
- C6H4BrNO
- Durchschnittliche Molmasse
- 186,01 g/mol
- Monoisotopische Masse
- 184,94762585
Namen und Bezeichner
- Bevorzugter Name
- 6-Bromopyridine-2-carbaldehyde
- IUPAC
- 6-bromopyridine-2-carbaldehyde
- Englischer Name
- 6-Bromopyridine-2-carbaldehyde
- Summenformel
- C6H4BrNO
- Molmasse
- 186.01
Namen und Synonyme
6-bromopyridine-2-carbaldehyde34160-40-26-Bromo-2-pyridinecarboxaldehydeDTXSID10373691RefChem:541279DTXCID50324723608-952-46-bromopicolinaldehyde6-Bromopyridine-2-carboxaldehyde6-Bromo-2-formylpyridineMFCD026835462-Pyridinecarboxaldehyde, 6-bromo-
Weitere Namen anzeigen
6-BroMopicolylaldehyde6-Bromo-2-pyridinecarboxaL6-Brompyridin-2-carbaldehyd6-Bromopyridine-2-carboxa...Bromopyridine-2-carbaldehyde2-Bromopyridinecarboxaldehyde
2-bromo-6-formylpyridine6-bromo-pyridine-2-carbaldehyde6-Bromo-2-Pyridine Carboxaldehyde6-Bromopicoline aldehyde2-formyl-6-bromopyridineB37166-bromo-2-pyridinecarbaldehyde6-bromo-2-pyridine carbaldehyde
Datenbank-Bezeichner
- CAS
34160-40-2- PubChem CID
- 2757009
- DTXSID
DTXSID10373691- ChEMBL
CHEMBL4560858- EC Number
- 608-952-4
- Nikkaji
- J725.217J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 30 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 107
Physikochemische Eigenschaften
- Schmelzpunkt
- 81 · 81-85 °C(lit.)
- Siedepunkt
- 248.2 · 248.2±20.0 °C(Predicted)
- Dichte
- 1.683 · 1.683±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Dichloromethane, Ether, Ethyl Acetate, Methanol (Slightl
- Aggregatzustand
- Powder
- pka
- 1 · 1.00±0.10(Predicted)
- Farbe
- White to beige or pale brown
- Wasserlöslichkeit
- Soluble in dichloromethane, ether, ethyl acetate and methanol. Insoluble in water.
- BRN
- 1524300 · 1524300
- InChI
- InChI=1S/C6H4BrNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
- InChIKey
- QWFHFNGMCPMOCD-UHFFFAOYSA-N
- SMILES
- C1(C=O)=NC(Br)=CC=C1
- CAS Datenbank
- 34160 · 34160-40-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 51 reports by companies from 11 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
- 36/37/38-20/21/22-10
- hazard_code
- Xi,Xn,F
- safety_code
- 26-36-36/37/39-16
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden6-Bromopyridine-2-carbaldehyde can be a useful synthetic intermediate.
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