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HCID 737737Erstellt: 23. Oktober 2026

5-Bromo-benzo(b)thiophene-2-carboxylic acid

5-Bromo-1-benzothiophene-2-carboxylic acid · 5-bromo-1,3-benzothiazole-2-carboxylic acid · 5-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID · Benzo[b]thiophene-2-carboxylic acid, 5-bromo- · 5-Bromo-1-benzothiophene-2-carboxylic acid, 5-Bromo-2-carboxy-1-benzothiophene

https://huagongshe.com/de/chemical/737737

Molekülstruktur von 5-Bromo-benzo(b)thiophene-2-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.7312-10-9
SummenformelC9H5BrO2S
Durchschnittliche Molmasse257,11 g/mol
Monoisotopische Masse255,9193625 g/mol
SMILESO=C(O)c1cc2cc(Br)ccc2s1
InChIKeyONNFNEFYXIPHCA-UHFFFAOYSA-N
PubChem CID737737
EC No.692-275-4
DTXSIDDTXSID20353282

Chemische & physikalische Eigenschaften

XLogP3,5
Polarare Oberfläche (TPSA)65,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome13
Formalladung0
Komplexität222
Schmelzpunkt230-234°C
Siedepunkt429.7±25.0 °C(Predicted)
Dichte1.813±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C(protect from light)
pKa (Säurekonstante)3.29±0.30(Predicted)
Aggregatzustandpowder
FarbeWhite

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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%)
Zollcode2934999090
R-Sätze (R)22-36
GefahrensymboleXi,Xn
Sicherheitshinweise (S)26
GefahrenklasseIRRITANT