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6-Nitrobenzothiazol-2-amin
6-Nitrobenzo[d]thiazol-2-amine · 2-Amino-6-nitrobenzothiazol · IFLAB-BB F1386-0392 · LABOTEST-BB LT00454107 · 6-nitro-2-benzothiazolamin · 6-NITRO-2-BENZOTHIAZOLAMINE · 6-nitrobenzothiazol-2-amine · 2-AMINO-6-NITROBENZOTHIAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 6285-57-0 |
|---|---|
| Summenformel | C7H5N3O2S |
| Durchschnittliche Molmasse | 195,2 g/mol |
| Monoisotopische Masse | 195,0102474 g/mol |
| SMILES | Nc1nc2ccc([N+](=O)[O-])cc2s1 |
| InChIKey | GPNAVOJCQIEKQF-UHFFFAOYSA-N |
| PubChem CID | 22704 |
| ChEMBL | CHEMBL318275 |
| EC No. | 228-513-7 |
| DTXSID | DTXSID3024491 |
| Lokaler Name | 6-Nitrobenzothiazol-2-amin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 113 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 220 |
| Löslichkeit | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Schmelzpunkt | 477 to 480 °F (NTP, 1992)247-249 °C (lit.) |
| Physical Description | 2-amino-6-nitrobenzothiazole appears as orange crystals or yellow powder. (NTP, 1992) |
| Collision Cross Section | 131.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3024491] |
| Siedepunkt | 411.7±37.0 °C(Predicted) |
| Dichte | 1.4666 (rough estimate) |
| Brechungsindex | 1.6740 (estimate) |
| Lagerbedingungen | 2-8°C, protect from light |
| pKa (Säurekonstante) | 1.76±0.10(Predicted) |
| InChI | 1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9) |
| InChIKey | GPNAVOJCQIEKQF-UHFFFAOYSA-N |
| SMILES | Nc1nc2ccc(cc2s1)[N+]([O-])=O |
| CAS Datenbank | 6285-57-0(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Amino-6-nitrobenzothiazole (6285-57-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this compound are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 2-AMINO-6-NITROBENZOTHIAZOLE is incompatible with strong oxidizing agents and strong acids. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
Anwendungen & Verwendung
Verwenden
2-Amino-6-nitrobenzothiazole has been used:as model analyte for voltammetric determination of electrochemically reducible organic substancesin the synthesis of 2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid[2-(cyclohexanecarbonylamino)benzothiazol-6-yl]amide derivativesin the preparation of push-pull nonlinear optical chromophores containing thiazole and benzothiazole acceptorsas a base in dye production by diazotation reaction