Grundinformationen
- Standard-SMILES
CCSc1nc2ccccc2s1- InChIKey
HKIQFQKRAQSUJI-UHFFFAOYSA-N- Summenformel
- C9H9NS2
- Durchschnittliche Molmasse
- 195,3 g/mol
- Monoisotopische Masse
- 195,01764164
Namen und Bezeichner
- Bevorzugter Name
- 2-(Ethylthio)benzothiazole
- IUPAC
- 2-ethylsulfanyl-1,3-benzothiazole
- Lokaler Name
- 2-(Ethylthio)benzothiazol
- Englischer Name
- 2-(Ethylthio)benzothiazole
- Summenformel
- C9H9NS2
- Molmasse
- 195.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2757-92-8- PubChem CID
- 75993
- DTXSID
DTXSID6062628- UNII
- DX7DL9WEA8
- EC Number
- 220-418-9
- Nikkaji
- J299.218C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 26 °C · 26 °C
- Siedepunkt
- 178 °C18 · 178 °C18 mm Hg(lit.)
- Dichte
- 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.658(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- room temp
- pka
- 1.04 · 1.04±0.10(Predicted)
- Aggregatzustand
- liquid
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
- InChIKey
- HKIQFQKRAQSUJI-UHFFFAOYSA-N
- SMILES
- CCSc1nc2ccccc2s1
- EPA chemische Informationen
- 2 · Benzothiazole, 2-(ethylthio)- (2757-92-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-(Ethylthio)benzothiazole is a cellular dye/stain. Dyes and metabolites.
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