Grundinformationen
- Standard-SMILES
Cc1nc2cc(N)ccc2s1- InChIKey
GPWQHYMVUZYWIK-UHFFFAOYSA-N- Summenformel
- C8H8N2S
- Durchschnittliche Molmasse
- 164,23 g/mol
- Monoisotopische Masse
- 164,04081944
Namen und Bezeichner
- Bevorzugter Name
- 5-Benzothiazolamine, 2-methyl-
- IUPAC
- 2-methyl-1,3-benzothiazol-5-amine
- Englischer Name
- 5-Amino-2-methylbenzothiazole
- Summenformel
- C8H8N2S
- Molmasse
- 164.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13382-43-9- PubChem CID
- 36229
- DTXSID
DTXSID0065430- ChEMBL
CHEMBL4793104- EC Number
- 678-795-4
- Nikkaji
- J150.932B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 67,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 ℃ · 215℃
- Siedepunkt
- 325 ℃ · 325℃
- Dichte
- 1.315 · 1.315
- Flammpunkt
- 150 ℃ · 150℃
- storage temp.
- 2 · 2-8°C
- pka
- 3.1 · 3.10±0.10(Predicted)
- CAS Datenbank
- 13382 · 13382-43-9(CAS DataBase Reference)
- EPA chemische Informationen
- 5 · 5-Benzothiazolamine, 2-methyl- (13382-43-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 6 reports by companies from 3 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
- tsca
- TSCA listed
- hs_code
- 29342080
- risk_code
- 20/21/22-36/37/38-22-36
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden5-Amino-2-methylbenzothiazole is used as pharmaceutical intermediates.
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