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2,1,3-Benzothiadiazol-4-ylamin
benzo[c][1,2,5]thiadiazol-4-amine · 4-AMINO-2,1,3-BENZOTHIADIAZOLE · AI3-60012 · NSC 73013 · 22726-33-6 · BRN 0003551 · AKOS BC-0685 · MLS000762975
Identifikatoren & physikalische Daten
| CAS No. | 767-64-6 |
|---|---|
| Summenformel | C6H5N3S |
| Durchschnittliche Molmasse | 151,19 g/mol |
| Monoisotopische Masse | 151,02041835 g/mol |
| SMILES | Nc1cccc2nsnc12 |
| InChIKey | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| PubChem CID | 69845 |
| ChEMBL | CHEMBL1447590 |
| EC No. | 212-186-2 |
| DTXSID | DTXSID60227498 |
| Lokaler Name | 2,1,3-Benzothiadiazol-4-ylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 80 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 130 |
| Schmelzpunkt | 67-69 °C (lit.) |
| Siedepunkt | 303.0±15.0 °C(Predicted) |
| Dichte | 1.485±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.81±0.10(Predicted) |
| Farbe | Light yellow to Amber to Dark green |
| Löslichkeit | Insoluble in water. |
| BRN | 3551 |
| InChI | InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2 |
| InChIKey | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| SMILES | N1=C2C=CC=C(N)C2=NS1 |
| CAS Datenbank | 767-64-6(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Amino-2,1,3-benzothiadiazole(767-64-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 2934.99.4400 |
| RTECS-Nr. | DK9950000 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-26-36/37/39 |
| Gefahrenklasse | IRRITANT |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.