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HCID 85546Erstellt: 24. Oktober 2026

4-Bromo-3-thenoic acid

Einecs 240-739-8 · 4-bromo-3-thenoic acid · 4-Bromo-3-carboxythiophene · 4-Bromothiophenecarboxylicacid · 4-Bromo-3-thiophenecarboxylicacid · 3-Bromo-4-thiophenecarboxylic acid · 4-Bromothiophene-3-carvoxylic acid · 4-Bromothiophene-3-carboxylic acid

https://huagongshe.com/de/chemical/85546

Molekülstruktur von 4-Bromo-3-thenoic acid

Identifikatoren & physikalische Daten

CAS No.16694-17-0
SummenformelC5H3BrO2S
Durchschnittliche Molmasse207,05 g/mol
Monoisotopische Masse205,90371244 g/mol
SMILESO=C(O)c1cscc1Br
InChIKeyAPBIZVFQQBCAAT-UHFFFAOYSA-N
PubChem CID85546
EC No.240-739-8
DTXSIDDTXSID50168205

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)65,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität128
Schmelzpunkt157-159℃
Siedepunkt318.0±27.0 °C(Predicted)
Dichte1.923±0.06 g/cm3(Predicted)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
Aggregatzustandsolid
pKa (Säurekonstante)3.63±0.20(Predicted)
FarbeOff-white/faint brown
InChIInChI=1S/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)
InChIKeyAPBIZVFQQBCAAT-UHFFFAOYSA-N
SMILESC1SC=C(Br)C=1C(O)=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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, 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 CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)2
Zollcode2934999090
GefahrensymboleXi
hazard_noteIrritant
Lagerklasse11 - Combustible Solids