HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 24057Erstellt: 27. Oktober 2026
2-Amino-4-hydroxybenzothiazole
2-AMINO-BENZOTHIAZOL-4-OL · 4-Benzothiazolol, 2-amino- · 2-AMINOBENZO[D]THIAZOL-4-OL · 2-AMINO-1,3-BENZOTHIAZOL-4-OL · 2-amino-4-hydroxy-benzothiazol · 2-AMINO-4-HYDROXYBENZOTHIAZOLE · 2-Amino-4-hydroxy-1,3-benzothiazole · 4-Benzothiazolol,2-amino-(6CI,7CI,9CI)
https://huagongshe.com/de/chemical/24057
Identifikatoren & physikalische Daten
| CAS No. | 7471-03-6 |
|---|
| Summenformel | C7H6N2OS |
|---|
| Durchschnittliche Molmasse | 166,2 g/mol |
|---|
| Monoisotopische Masse | 166,02008381 g/mol |
|---|
| SMILES | Nc1nc2c(O)cccc2s1 |
|---|
| InChIKey | PFQJPSASUCHKRO-UHFFFAOYSA-N |
|---|
| PubChem CID | 24057 |
|---|
| ChEMBL | CHEMBL1269497 |
|---|
| EC No. | 616-128-0 |
|---|
| DTXSID | DTXSID20225692 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|
| Polarare Oberfläche (TPSA) | 87,4 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 155 |
|---|
| Schmelzpunkt | 179-181°C |
|---|
| Siedepunkt | 394.6±34.0 °C(Predicted) |
|---|
| Dichte | 1.553±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Löslichkeit | soluble in Methanol |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 7.94±0.40(Predicted) |
|---|
| Farbe | White to Light yellow to Light orange |
|---|
| InChI | 1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9) |
|---|
| InChIKey | PFQJPSASUCHKRO-UHFFFAOYSA-N |
|---|
| SMILES | Nc1nc2c(O)cccc2s1 |
|---|
| CAS Datenbank | 7471-03-6(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|
| Zollcode | 2934208090 |
|---|
| RTECS-Nr. | DL1800000 |
|---|
| R-Sätze (R) | 22 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
|---|
