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HCID 2773321Erstellt: 23. Oktober 2026

2-Bromo-5-fluorobenzaldehyde

2-BROMO-5-FLUOROBENZALDHYDE · 2-bromo-5-fluorobenzaldehydy · 2-BROMO-5-FLUOROBENZALDEHYDE · 5-Fluoro-2-Bromo benzaldehyde · Benzaldehyde, 2-broMo-5-fluoro- · 2-Bromo-5-fluorobenzaldehyde 96% · 2-Bromo-5-fluorobenzaldehyde >2-Bromo-5-fluorobenzaldehyde ,98% · 2-BroMo-5-fluorobenzaldehyde, 95+%

https://huagongshe.com/de/chemical/2773321

Molekülstruktur von 2-Bromo-5-fluorobenzaldehyde

Identifikatoren & physikalische Daten

CAS No.94569-84-3
SummenformelC7H4BrFO
Durchschnittliche Molmasse203,01 g/mol
Monoisotopische Masse201,94295507 g/mol
SMILESO=Cc1cc(F)ccc1Br
InChIKeyCJUCIKJLMFVWIS-UHFFFAOYSA-N
PubChem CID2773321
EC No.619-047-9
DTXSIDDTXSID40378371

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome10
Formalladung0
Komplexität129
Schmelzpunkt51-56 °C (lit.)
Siedepunkt225.8±20.0 °C(Predicted)
Dichte1.670±0.06 g/cm3(Predicted)
Flammpunkt190 °F
Lagerbedingungen2-8°C
LöslichkeitSoluble in methanol.
Aggregatzustandpowder to lump
FarbeWhite to Orange to Green
InChIInChI=1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChIKeyCJUCIKJLMFVWIS-UHFFFAOYSA-N
SMILESC(=O)C1=CC(F)=CC=C1Br
CAS Datenbank94569-84-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (11.1%)
Wassergefährdungsklasse (WGK)3
Zollcode29130000
R-Sätze (R)36/37/38
GefahrensymboleXi
hazard_noteIrritant
Sicherheitshinweise (S)26-36/37/39-24/25
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2-Bromo-5-fluorobenzaldehyde is used as a precursor for the synthesis of 5-fluoro-3-substituted benzoxaboroles, which is used in material science as molecular receptors, building block in crystal engineering, as steroid conjugates for molecular imprinting , dyes and biosensors of alpha hydroxyl carboxylic acids. It is also used in the synthesis of 5-arylindazolo[3,2-b]quinazolin-7(5H)-one by reacting with 2-amino-N'-arylbenzohydrazide in the presence of Copper(I) bromide by the Ullmann-type reaction.