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HCID 29872Erstellt: 27. Oktober 2026

4-Chlorbenzothiazol-2-ylamin

4-chlorobenzo[d]thiazol-2-amine · 4-CHLORO-1,3-BENZOTHIAZOL-2-AMINE · AKOS BB-8273 · ASISCHEM A34695 · TIMTEC-BB SBB000250 · LABOTEST-BB LT00012587 · 4-Chlorobenzothiazol-2-amine · 4-Chloro-2-benzothiazolamine

https://huagongshe.com/de/chemical/29872

Molekülstruktur von 4-Chlorbenzothiazol-2-ylamin

Identifikatoren & physikalische Daten

CAS No.19952-47-7
SummenformelC7H5ClN2S
Durchschnittliche Molmasse184,65 g/mol
Monoisotopische Masse183,98619684 g/mol
SMILESNc1nc2c(Cl)cccc2s1
InChIKeyOEQQFQXMCPMEIH-UHFFFAOYSA-N
PubChem CID29872
ChEMBLCHEMBL1413383
EC No.243-439-5
DTXSIDDTXSID0024470
Lokaler Name4-Chlorbenzothiazol-2-ylamin

Chemische & physikalische Eigenschaften

XLogP2,7
Polarare Oberfläche (TPSA)67,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität155
Löslichkeitless than 1 mg/mL at 68 °F (NTP, 1992)>27.7 [ug/mL] (The mean of the results at pH 7.4)
Schmelzpunkt397 to 401 °F (NTP, 1992)203-205 °C (lit.)
Physical Description2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)
Siedepunkt344.3±34.0 °C(Predicted)
Dichte1.4750 (rough estimate)
Brechungsindex1.6100 (estimate)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
AggregatzustandCrystalline Powder
pKa (Säurekonstante)2.14±0.10(Predicted)
FarbeWhite to light beige or grayish
BRN136784
InChI1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKeyOEQQFQXMCPMEIH-UHFFFAOYSA-N
SMILESNc1nc2c(Cl)cccc2s1
CAS Datenbank19952-47-7(CAS DataBase Reference)
EPA chemische Informationen2-Amino-4-chlorobenzothiazole (19952-47-7)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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.
BrandgefahrenFlash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
GesundheitsgefahrenACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of chloride ion, SOx and NOx. (NTP, 1992)
Reaktive GruppeAmines, Phosphines, and Pyridines
Reactivity ProfileA 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.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: 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.
Freisetung ohne BrandSMALL 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)
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
Zollcode29342080
RTECS-Nr.DL1225000
R-Sätze (R)36/37/38-20/21/22
GefahrensymboleXi,Xn
Sicherheitshinweise (S)26-37/39-36
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2Skin Irrit. 2STOT SE 3