6-Bromo-2-chlorobenzothiazole

Base Information

• Chemical Name: 6-Bromo-2-chlorobenzothiazole
• CAS No.: 80945-86-4
• Molecular Formula: C7H3BrClNS
• Molecular Weight: 248.531
• Hs Code.: 29342000
• European Community (EC) Number: 627-810-2
• DSSTox Substance ID: DTXSID10365955
• Nikkaji Number: J2.186.514A
• Wikidata: Q72452462
• Mol file: 80945-86-4.mol

Synonyms:6-Bromo-2-chlorobenzothiazole;80945-86-4;6-bromo-2-chloro-1,3-benzothiazole;6-BROMO-2-CHLOROBENZO[D]THIAZOLE;6-Bromo-2-chloro-benzothiazole;Benzothiazole, 6-bromo-2-chloro-;MFCD04971822;2-CHLORO-6-BROMOBENZOTHIAZOLE;SCHEMBL141868;DTXSID10365955;IJQSMNIZBBEBKI-UHFFFAOYSA-N;HMS1655N09;BCP21684;6-Bromo-2-chlorobenzothiazole, 97%;AKOS005072770;AB20897;AC-7670;CS-W014630;FA-0922;SY004598;6-bromanyl-2-chloranyl-1,3-benzothiazole;A9973;AM20041198;B4448;BB 0260634;FT-0649113;EN300-237777;A840010;J-518322;F1910-0018

Chemical Property of 6-Bromo-2-chlorobenzothiazole

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Melting Point: 93-96 °C
• Refractive Index: 1.721
• Boiling Point: 309.2 °C at 760 mmHg
• PKA: -0.87±0.10(Predicted)
• Flash Point: 140.8 °C
• PSA: 41.13000
• Density: 1.849 g/cm³
• LogP: 3.71220
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.88581
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

6-Bromo-2-chlorobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)SC(=N2)Cl
• Uses: Starting material in a synthesis of benzothiazole dimers with high binding affinity to β-amyloid fibrils.