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HCID 238939Erstellt: 24. Oktober 2026

5-Nitro-1-benzothiophene-2-carboxylic acid

IFLAB-BB F2108-0141 · 5-NITROBENZOTHIOPHENE-2-CARBOXYLIC ACID · 5-nitro-2-benzothiophenecarboxylic acid · 5-Nitro-1-benzothiophene-2-carboxylic acid · 5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID · Benzo[b]thiophene-2-carboxylic acid, 5-nitro- · 5-Nitrobenzo[b]thiophene-2-carboxylic acid - [N71824] · 5-Nitro-1-benzothiophene-2-carboxylic acid, 2-Carboxy-5-nitrobenzo[b]thiophene

https://huagongshe.com/de/chemical/238939

Molekülstruktur von 5-Nitro-1-benzothiophene-2-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.6345-55-7
SummenformelC9H5NO4S
Durchschnittliche Molmasse223,21 g/mol
Monoisotopische Masse222,99392864 g/mol
SMILESO=C(O)c1cc2cc([N+](=O)[O-])ccc2s1
InChIKeyZGSMHACHDULBBY-UHFFFAOYSA-N
PubChem CID238939
EC No.695-324-8
DTXSIDDTXSID80286042

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)111
H-Brücken-Donoren1
H-Brücken-Akzeptoren5
Frei drehbare Bindungen1
Schwere Atome15
Formalladung0
Komplexität290
Schmelzpunkt239-241°C
Siedepunkt473.6±25.0 °C(Predicted)
Dichte1.624±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C
pKa (Säurekonstante)3.13±0.30(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%)
Zollcode2934999090
GefahrenklasseIRRITANT