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HCID 602011Erstellt: 23. Oktober 2026

2,1,3-Benzothiadiazole-5-carboxylic acid

benzo[c][1,2,5]thiadiazole-5-carboxylic acid · BUTTPARK 46\04-59 · RARECHEM AL BE 1094 · TIMTEC-BB SBB007390 · 2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID · 1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID · BENZO[1,2,5]THIADIAZOLE-5-CARBOXYLIC ACID · BENZO-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID

https://huagongshe.com/de/chemical/602011

Molekülstruktur von 2,1,3-Benzothiadiazole-5-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.16405-98-4
SummenformelC7H4N2O2S
Durchschnittliche Molmasse180,19 g/mol
Monoisotopische Masse179,99934837 g/mol
SMILESO=C(O)c1ccc2nsnc2c1
InChIKeyYHMXJZVGBCACMT-UHFFFAOYSA-N
PubChem CID602011
EC No.672-956-2
DTXSIDDTXSID80345128

Chemische & physikalische Eigenschaften

XLogP1,3
Polarare Oberfläche (TPSA)91,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren5
Frei drehbare Bindungen1
Schwere Atome12
Formalladung0
Komplexität200
Schmelzpunkt229 °C
Siedepunkt368.7±15.0 °C(Predicted)
Dichte1.608±0.06 g/cm3(Predicted)
LagerbedingungenStore at room temperature
pKa (Säurekonstante)3.16±0.30(Predicted)
CAS Datenbank16405-98-4(CAS DataBase Reference)

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
R-Sätze (R)36/37/38-41-37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36/37/39-24/25-39
GefahrenklasseIRRITANT