Grundinformationen
- Standard-SMILES
Nc1nc2ccc([N+](=O)[O-])cc2s1- InChIKey
GPNAVOJCQIEKQF-UHFFFAOYSA-N- Summenformel
- C7H5N3O2S
- Durchschnittliche Molmasse
- 195,2 g/mol
- Monoisotopische Masse
- 195,0102474
Überblick
2-amino-6-nitrobenzothiazole appears as orange crystals or yellow powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-6-nitrobenzothiazole
- IUPAC
- 6-nitro-1,3-benzothiazol-2-amine
- Lokaler Name
- 6-Nitrobenzothiazol-2-amin
- Englischer Name
- 2-Amino-6-nitrobenzothiazole
- Summenformel
- C7H5N3O2S
- Molmasse
- 195.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6285-57-0- PubChem CID
- 22704
- DTXSID
DTXSID3024491- ChEMBL
CHEMBL318275- UNII
- 4321510DG9
- EC Number
- 228-513-7
- Nikkaji
- J37.325G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 220
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 · 247-249 °C (lit.)
- Siedepunkt
- 411.7 · 411.7±37.0 °C(Predicted)
- Dichte
- 1.4666 · 1.4666 (rough estimate)
- Brechungsindex
- 1.674 · 1.6740 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.76 · 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 · 6285-57-0(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Amino-6-nitrobenzothiazole (6285-57-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (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.
Gefahrenhinweise
Sicherheit und Schutzausrüstung
First Aid
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.
Nonfire Spill Response
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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29342080
- RTECS-Nr.
- DL0865000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-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
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…