6-Bromo-3-pyridinecarboxaldehyde

HCID 11769234

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Grundinformationen

CAS: 149806-06-4
Standard-SMILES: O=Cc1ccc(Br)nc1
InChIKey: PVUKGNBRJFTFNJ-UHFFFAOYSA-N
Summenformel: C6H4BrNO
Durchschnittliche Molmasse: 186,01 g/mol
Monoisotopische Masse: 184,94763

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-3-pyridinecarboxaldehyde
IUPAC: 6-bromopyridine-3-carbaldehyde
Englischer Name: 2-Bromopyridine-5-carbaldehyde
Summenformel: C6H4BrNO
Molmasse: 186.01

Namen und Synonyme

149806-06-46-Bromo-3-pyridinecarboxaldehydeRefChem:540948629-088-46-Bromonicotinaldehyde6-bromopyridine-3-carbaldehyde2-Bromopyridine-5-carbaldehyde2-Bromo-5-formylpyridine2-bromopyridine-5-carboxaldehyde6-bromopyridine-3-carboxaldehyde3-pyridinecarboxaldehyde, 6-bromo-MFCD04115419

Weitere Namen anzeigen

6-Bromo-3-pyridinecarbaldehyde2-Bromo-5-aldopyridineAbemaciclib Impurity 376-Bromo-3-pyridinecarboxaL2-BROMO-5-FORMYLPYRIDINE97+%

2-Bromo-5-pyridinecarboxaldehyde6-bromo-pyridine-3-carbaldehyde6-Bromo-3-formylpyridine6-bromo-nicotinaldehydeAbemaciclib Impurity 223-formyl-6-bromopyridineY2CE2F6NUU2-bromo-5-formyl-pyridine

Datenbank-Bezeichner

CAS: 149806-06-4
PubChem CID: 11769234
DTXSID: DTXSID70472119
ChEMBL: CHEMBL4463248
UNII: Y2CE2F6NUU
EC Number: 629-088-4
Nikkaji: J1.047.431K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 107

Physikochemische Eigenschaften

Schmelzpunkt: 104 · 104-110 °C(lit.)
Siedepunkt: 284 ° · 284°
Dichte: 1.683 · 1.683
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in dichloromethane, ether, ethyl acetate and methanol.
Aggregatzustand: Solid
pka: -1.01 · -1.01±0.10(Predicted)
Farbe: Pale yellow
InChI: InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKey: PVUKGNBRJFTFNJ-UHFFFAOYSA-N
SMILES: C1=NC(Br)=CC=C1C=O
CAS Datenbank: 149806 · 149806-06-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.