N,N-Dicyclohexyl-2-benzothiazolsulfene amide Chemical Properties

Melting point:

104℃

Boiling point:

230°C (rough estimate)

Density 

1.20

vapor pressure 

0Pa at 25℃

refractive index 

1.5800 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Acetone (Slightly), Acetonitrile (Slightly), DMSO (Slightly)

form 

Solid

pka

0.43±0.20(Predicted)

color 

Pale Yellow to Light Yellow

Water Solubility 

1.9μg/L at 25℃

LogP

5.95

CAS DataBase Reference

4979-32-2(CAS DataBase Reference)

EPA Substance Registry System

N,N-Dicyclohexyl-2-benzothiazolesulfenamide (4979-32-2)

N,N-Dicyclohexyl-2-benzothiazolsulfene amide Usage And Synthesis

Uses

N,N-Dicyclohexyl-2-benzothiazolesulfenamide is a compound with reproductive and developmental toxicity that can affect body weight gain, reproductive organ weight, and multiple reproductive and developmental indicators in rats.

Flammability and Explosibility

Not classified

Contact allergens

This substance is a rubber accelerator of the mercapto- benzothiazole-sulfenamide group.

Synthesis

(1) Preparation of M-Na salt solution: mix 400g 2-mercaptobenzothiazole (MBT) with 360g 32wt% sodium hydroxide (NaOH) solution, stirring at 50 ℃ for 2 hours, to get the M-Na salt solution; Preparation of dicyclohexylamine hydrochloride solution: mix 567g of dicyclohexylamine with 376g of 31wt% industrial hydrochloric acid, add 567g of water, stirring at 35 ℃. The solution of dicyclohexylamine hydrochloride was obtained. (2) M-Na salt solution (flow rate of 69 mL/min), dicyclohexylamine hydrochloride solution (flow rate of 136 mL/min), toluene (flow rate of 130 mL/min) and sodium hypochlorite solution with 17% effective chlorine (flow rate of 49 mL/min) were continuously pumped into a microchannel reactor to carry out oxidation reaction. The reaction conditions were: residence time of 2 s, reaction temperature of 30°C, and four microchannel reactors in series were used, each with a volume of 3 mL and a total volume of 12.8 mL.(3) The reactor effluent material was collected, stirred and cooled to 5°C for crystallization. The crude product was washed sequentially twice each with 200 mL of isopropanol and 200 mL of water to obtain S-(benzo[d]thiazol-2-yl)-N,N-dicyclohexylmercaptoamine (DCBS) wet product. After drying, DCBS was obtained as a finished product with 96.2% yield (based on MBT content), 99.2 wt% purity, and a light yellow powder appearance. After recovery of isopropanol from continuous distillation effluent, the residual COD was 5900 ppm.

References

[1] Evaluation of reproductive and developmental toxicity of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats DOI:10.1111/j.1741-4520.2007.00161.x

N,N-Dicyclohexyl-2-benzothiazolsulfene amide(4979-32-2)Related Product Information

• Dicyclohexylcarbodiimide
• Sulfuryl chloride
• Thiourea
• ETHYLENE
• Fomesafen
• Polyamide
• Rink Amide Linker
• 2,2'-Dithiobis(benzothiazole)
• Benzothiazole
• Sulfanilamide
• 2-Mercaptobenzothiazole
• N-Cyclohexyl-2-benzothiazolesulfenamide
• N,N-DIISOPROPYLBENZOTHIAZOLE-2-SULFENAMIDE
• 2-MERCAPTOBENZOTHIAZOLE CYCLOHEXYLAMINE SALT
• N,N-Dicyclohexyl-2-benzothiazolsulfene amide
• 2-Benzothiazolesulfenamide(6CI,7CI,8CI,9CI)