4-Chlorbenzothiazol-2-ylamin
2-Benzothiazolamine, 4-chloro-
Grundinformationen
- CAS
19952-47-7- Standard-SMILES
Nc1nc2c(Cl)cccc2s1- InChIKey
OEQQFQXMCPMEIH-UHFFFAOYSA-N- Summenformel
- C7H5ClN2S
- Durchschnittliche Molmasse
- 184,65 g/mol
- Monoisotopische Masse
- 183,98619684
Überblick
2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Benzothiazolamine, 4-chloro-
- IUPAC
- 4-chloro-1,3-benzothiazol-2-amine
- Lokaler Name
- 4-Chlorbenzothiazol-2-ylamin
- Englischer Name
- 2-Amino-4-chlorobenzothiazole
- Summenformel
- C7H5ClN2S
- Molmasse
- 184.65
Namen und Synonyme
2-AMINO-4-CHLOROBENZOTHIAZOLE19952-47-74-Chloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 4-chloro-4-Chlorobenzothiazol-2-ylamineBenzothiazole, 2-amino-4-chloro-4-Chloro-2-benzothiazolamineDTXSID0024470EINECS 243-439-5BRN 0136784DTXCID3044704-27-00-04859 (Beilstein Handbook Reference)
Weitere Namen anzeigen
AKOS BB-8273ASISCHEM A34695TIMTEC-BB SBB000250LABOTEST-BB LT000125874-Chlorobenzothiazol-2-amine2-Amino-4-chlorbenzothiazole4-Chlorbenzothiazol-2-ylamin
RefChem:465554243-439-54-chlorobenzo[d]thiazol-2-amineMFCD000057914-Chloro-2-aminobenzothiazoleCHEMBL1413383F1911-00084-chlorobenzothiazole-2-ylamine
Datenbank-Bezeichner
- CAS
19952-47-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 67,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 155
Experimentelle und physikochemische Eigenschaften
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
>27.7 [ug/mL] (The mean of the results at pH 7.4)
Melting Point397 to 401 °F (NTP, 1992)
Physical Description2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)
Physikochemische Eigenschaften
- Schmelzpunkt
- 203 · 203-205 °C (lit.)
- Siedepunkt
- 344.3 · 344.3±34.0 °C(Predicted)
- Dichte
- 1.475 · 1.4750 (rough estimate)
- Brechungsindex
- 1.61 · 1.6100 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Crystalline Powder
- pka
- 2.14 · 2.14±0.10(Predicted)
- Farbe
- White to light beige or grayish
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of chloride ion, SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
A halide- and amine-substituted aromatic compound and 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
General Manufacturing Information2-Benzothiazolamine, 4-chloro-: ACTIVE
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