2-Chlorobenzothiazole

2-Chlorobenzothiazole Basic information
Product Name:2-Chlorobenzothiazole
Synonyms:2-CHLOROBENZOTHIAZOLE;2-BENZOTHIAZOLYL CHLORIDE;2-CHLORO-1,3-BENZOTHIAZOLE;2-Chlorobenzophiazole;2-chloro-benzothiazol;USAF ek-2784;usafek-2784;Benzothiazole, 2-chloro- (6CI,7CI,8CI,9CI)
CAS:615-20-3
MF:C7H4ClNS
MW:169.63
EINECS:210-415-0
Product Categories:BENZOTHIAZOLE;API Intermediate;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Thiazoles;ThiazolesHeterocyclic Building Blocks
Mol File:615-20-3.mol
2-Chlorobenzothiazole Structure
2-Chlorobenzothiazole Chemical Properties
Melting point 21-23 °C (lit.)
Boiling point 141 °C/30 mmHg (lit.)
density 1.303 g/mL at 25 °C (lit.)
refractive index n20/D 1.637(lit.)
Fp >230 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
pka-0.23±0.10(Predicted)
form Liquid
Specific Gravity1.3711.303
color Clear yellow to yellow-brownish
Water Solubility insoluble
BRN 116316
CAS DataBase Reference615-20-3(CAS DataBase Reference)
NIST Chemistry ReferenceBenzothiazole, 2-chloro-(615-20-3)
EPA Substance Registry System2-Chlorobenzothiazole (615-20-3)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 36/37/38-22-20/21/22
Safety Statements 23-24/25-37/39-26-36
RIDADR 2810
WGK Germany 3
RTECS DL3150000
Hazard Note Irritant
TSCA Yes
HS Code 29342080
MSDS Information
ProviderLanguage
2-Chloro-1,3-benzothiazoleEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
2-Chlorobenzothiazole Usage And Synthesis
Chemical PropertiesCLEAR YELLOW TO YELLOW-BROWNISH LIQUID
Uses2-Chlorobenzothiazole was used in the synthesis of:
(RS)- and (S)-lubeluzole(1,3-benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives4H-thieno[2′,3′:4,5]pyrimido[2,1-b]benzothiazole derivatives
Uses2-Chloro-1,3-benzothiazole is used in the synthesis of CBTs which are good building blocks for bioluminescent compounds for imaging.
Purification MethodsIt is purified by fractional distillation in vacuo. The 2-chloro-3-methylbenzothiazolinium 2,4-dinitrobenzenesulfonate crystallises from Ac2O, m 162-163o(dec). [Young & Amstutz J Am Chem Soc 73 4773 1951, Brower et al. J Org Chem 19 1830 1954, Hunter & Jones J Chem Soc 2190 1930, Beilstein 27 H 44, 27 II 18, 27 III/IV 1072.]
2-Chlorobenzothiazole Preparation Products And Raw materials
Raw materialsHydrochloric acid–>Phosphorus oxychloride–>Chlorine–>Phosphorus pentachloride–>2-Mercaptobenzothiazole–>2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%–>PHENYL ISOCYANIDE DICHLORIDE–>ETHYL 1,3-BENZOTHIAZOLE-2-CARBOXYLATE–>2-HYDRAZINOBENZOTHIAZOLE–>Phenyl isothiocyanate–>Ethyl trichloroacetate–>Aniline
Preparation Products(2S,3R)-(+)-3-Isopropyl-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole98+%–>2,2′-METHYLENEBISBENZOTHIAZOLE–>(-)-Benzotetramisole–>2-IODOBENZOTHIAZOLE–>2(3H)-Benzothiazoleselone(9CI)

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