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HCID 85405Erstellt: 26. Oktober 2026

3-Brom-4,5-dihydroxybenzaldehyd

3-BROMO-4,5-DIHYDROXYBENZALDEHYDE · NSC 139675 · AKOS B029187 · AKOS BBS-00004672 · Bromoprotocatechualdehyde · 5-BROMOPROTOCATECHUALDEHYDE · 3,4-Dihydroxy-5-bromobenzaldehyde · 5-BROMO-3,4-DIHYDROXYBENZALDEHYDE

https://huagongshe.com/de/chemical/85405

Molekülstruktur von 3-Brom-4,5-dihydroxybenzaldehyd

Identifikatoren & physikalische Daten

CAS No.16414-34-9
SummenformelC7H5BrO3
Durchschnittliche Molmasse217,02 g/mol
Monoisotopische Masse215,94220612 g/mol
SMILESO=Cc1cc(O)c(O)c(Br)c1
InChIKeyGVSGSHGXUXLQNS-UHFFFAOYSA-N
PubChem CID85405
ChEMBLCHEMBL401368
EC No.240-463-8
DTXSIDDTXSID30167711
Lokaler Name3-Brom-4,5-dihydroxybenzaldehyd

Chemische & physikalische Eigenschaften

XLogP1,4
Polarare Oberfläche (TPSA)57,5
H-Brücken-Donoren2
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität151
Endocrine DisruptorsPotential endocrine disrupting compound
Schmelzpunkt230 °C
Siedepunkt297.4±35.0 °C(Predicted)
Dichte1.7054 (rough estimate)
Brechungsindex1.4630 (estimate)
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2-8°C
pKa (Säurekonstante)6.09±0.23(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
R-Sätze (R)22-36-43
GefahrensymboleXn
Sicherheitshinweise (S)26-36/37
GefahrenklasseIRRITANT