HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylbenzothiazol
2-methylbenzo[d]thiazole · METHYLBENZOTHIAZOLE · 2-Methyl-1,3-benzothiazole · usafek-1853 · USAF ek-1853 · 2-Methylbenzothiazo · 2-methylbenzothiazol · 2-METHYLBENZOTHIAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 120-75-2 |
|---|---|
| Summenformel | C8H7NS |
| Durchschnittliche Molmasse | 149,21 g/mol |
| Monoisotopische Masse | 149,0299204 g/mol |
| SMILES | Cc1nc2ccccc2s1 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| PubChem CID | 8446 |
| ChEMBL | CHEMBL2393325 |
| EC No. | 204-423-3 |
| DTXSID | DTXSID8049208 |
| Lokaler Name | 2-Methylbenzothiazol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Siedepunkt | 238.00 °C. @ 760.00 mm Hg238 °C (lit.) |
| Schmelzpunkt | 14 °C11-14 °C (lit.) |
| Physical Description | Liquid |
| Kovats Retention Index | 12881273 |
| Dichte | 1.173 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.617(lit.) |
| Flammpunkt | 216 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly)Not miscible or difficult to mix with water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 1.65±0.10(Predicted) |
| Farbe | slightly yellow |
| BRN | 112427 |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTNAIL SCULPTING |
| InChI | 1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| SMILES | Cc1nc2ccccc2s1 |
| LogP (Verteilungskoeffizient) | 2.224 (est) |
| CAS Datenbank | 120-75-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzothiazole, 2-methyl-(120-75-2) |
| EPA chemische Informationen | 2-Methybenzothiazole (120-75-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 38 of 40 companies (only 5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 38 of 40 reports by companies.There are 2 notifications provided by 2 of 40 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | Chemical: Benzothiazole, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzothiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29342080 |
| RTECS-Nr. | DL5600000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Methylbenzothiazole is a useful reagent for efficient development of new fluorescent probes for RNA G quadruplex imaging.