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HCID 696381Erstellt: 23. Oktober 2026

Methyl 2,1,3-benzothiadiazole-5-carboxylate

BUTTPARK 33\04-31 · RARECHEM AL BF 1094 · 5-Bromo-212-fluorobenzylamine&hydrochloride · METHYL 2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLATE · METHYL BENZO-2,1,3-THIADIZOLE-5-CARBOXYLATE · METHYL BENZO-2,1,3-THIADIAZOLE-5-CARBOXYLATE · 2,1,3-benzothiadiazole-5-carboxylic acid methyl ester · BENZO-2,1,3-THIADIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

https://huagongshe.com/de/chemical/696381

Molekülstruktur von Methyl 2,1,3-benzothiadiazole-5-carboxylate

Identifikatoren & physikalische Daten

CAS No.175204-21-4
SummenformelC8H6N2O2S
Durchschnittliche Molmasse194,21 g/mol
Monoisotopische Masse194,01499843 g/mol
SMILESCOC(=O)c1ccc2nsnc2c1
InChIKeyLRMFSMKHXKDUDG-UHFFFAOYSA-N
PubChem CID696381
EC No.673-062-5
DTXSIDDTXSID30351299

Chemische & physikalische Eigenschaften

XLogP1,6
Polarare Oberfläche (TPSA)80,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren5
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität212
Schmelzpunkt90-92°C
Siedepunkt292.1±13.0 °C(Predicted)
Dichte1.413±0.06 g/cm3(Predicted)
LagerbedingungenStorage temp. 2-8°C
pKa (Säurekonstante)-0.85±0.36(Predicted)
CAS Datenbank175204-21-4(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 5 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
GefahrensymboleXi
hazard_noteIrritant
Sicherheitshinweise (S)26-37