1135445-71-4

Basic information

• Product Name: 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide
• Synonyms: 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide
• CAS NO: 1135445-71-4
• Molecular Weight: 313.767
• Mol File: 1135445-71-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide(1135445-71-4)
• EPA Substance Registry System: 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide(1135445-71-4)

Safety Data

• Hazardous Substances Data: 1135445-71-4(Hazardous Substances Data)

Upstream product

• 19759-66-1 2-amino-6-cyanobenzthiazole 
• 609-65-4 o-chlorobenzoyl chloride 

Relevant articles and documents

The synthesis and structure of two novel N-(benzothiazol-2-yl)benzamides

Two novel benzothiazoles 2-chloro-N-(benzothiazol-2-yl)benzamide (1) and 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide (2) were obtained in multistep synthesis. They were characterised by means of IR, 1H- and 13C-NMR spectroscopy and also by single-crystal X-ray diffraction. The compound 1 crystallises with triclinic space group P 1, a = 9.5923(8) A, b = 9.8583(8) A, c = 13.8962(10) A, α = 89.162(6)°, β = 77.741(7)°, γ = 80.064(7)°, V = 1264.5(2) A3, Z = 4 and compound 2 crystallises as methanol solvate with monoclinic space group P 21/n, a = 7.5093(9) A, b = 13.0211(14) A, c = 16.032(2) A, β = 92.717(10)°, V = 1565.9(3) A3, Z = 4. Both crystal structures consist of discrete dimers connected into a three-dimensional network by intermolecular C-H...O and C-H...X (X = Cl or S) hydrogen bonds and by face-to-face π-π stacking interactions.