4-Methylbenzothiazol-2-ylamin
2-Amino-4-methylbenzothiazole
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Grundinformationen
- CAS
1477-42-5- Standard-SMILES
Cc1cccc2sc(N)nc12- InChIKey
GRIATXVEXOFBGO-UHFFFAOYSA-N- Summenformel
- C8H8N2S
- Durchschnittliche Molmasse
- 164,23 g/mol
- Monoisotopische Masse
- 164,04081926
Überblick
2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-4-methylbenzothiazole
- IUPAC
- 4-methyl-1,3-benzothiazol-2-amine
- Lokaler Name
- 4-Methylbenzothiazol-2-ylamin
- Englischer Name
- 2-Amino-4-methylbenzothiazole
- Summenformel
- C8H8N2S
- Molmasse
- 164.23
Namen und Synonyme
2-AMINO-4-METHYLBENZOTHIAZOLE1477-42-52-Benzothiazolamine, 4-methyl-4-Methyl-2-benzothiazolamine4-Methyl-2-aminobenzothiazoleBenzothiazole, 2-amino-4-methyl-4-Methylbenzothiazol-2-ylamineDTXSID9024487DTXCID40448745V5F1B9Z8NSC-28732RefChem:464333
Weitere Namen anzeigen
AURORA 187422-Amino-4-methylbenzLABOTEST-BB LT000807894-methyl-2-benzothiazolamin4-methyl-2-amimobenzothiazol4-methyl-2-amimobenzothiagol4-Methylbenzothiazol-2-amine
216-028-34-methylbenzo[d]thiazol-2-amine4-Methyl-1,3-benzothiazol-2-amine4-Methyl-2-aminobenzothiozoleMFCD000057932-Amino-4-methyl benzothiazoleSCHEMBL949374-Methylbenzothiazole-2-ylamine
Datenbank-Bezeichner
- CAS
1477-42-5- PubChem CID
- 15132
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- 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
Experimentelle und physikochemische Eigenschaften
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Melting Point279 to 282 °F (NTP, 1992)
Physical Description
2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)
Dry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 137 · 137-139 °C (lit.)
- Siedepunkt
- 322 · 322.0±35.0 °C(Predicted)
- Dichte
- 1.1724 · 1.1724 (rough estimate)
- Dampfdruck
- 0.053 Pa · 0.053Pa at 25℃
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Solid:particulate/powder
- pka
- 1 · pK1: 4.7(+1) (25°C)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
2-Benzothiazolamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolamine, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24545
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
An amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2022: 70,547 lb
Industry UsesIntermediate
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Benzothiazolamine, 4-methyl-: ACTIVE
Anwendungen
Verwenden2-Amino-4-methylbenzothiazole was used in the synthesis of N-(4-methyl-1,3-benzothiazol-yl)-N-[(1,4,5,8-tetramethoxy-2-napthyl)methylidene]amine and Schiff′s base via condensation with 2-acetonaphthone.
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