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2,2'-Dithiobis(benzothiazole) Structure

2,2'-Dithiobis(benzothiazole)

Chemical Properties

Melting point 177-180 °C (lit.)
Boiling point 532.5±33.0 °C(Predicted)
Density  1.5
vapor pressure  0Pa at 25℃
refractive index  1.5700 (estimate)
Flash point 271°C
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  0.01g/l
pka -0.58±0.10(Predicted)
form  powder to crystal
color  Cream to pale-yellow powder
Odor gray-wh. to cream powd. or pellets, sl. odor
Water Solubility  <0.01 g/100 mL at 21 ºC
Merck  14,3370
Henry's Law Constant 4.2×107 mol/(m3Pa) at 25℃, HSDB (2015)
InChI 1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
InChIKey AFZSMODLJJCVPP-UHFFFAOYSA-N
SMILES S(Sc1nc2ccccc2s1)c3nc4ccccc4s3
LogP 4.5 at 20℃
CAS DataBase Reference 120-78-5(CAS DataBase Reference)
NIST Chemistry Reference Benzothiazyl disulfide(120-78-5)
EPA Substance Registry System 2,2'-Dithiobisbenzothiazole (120-78-5)

Safety Information

Hazard Codes  Xi,N
Risk Statements  31-43-50/53
Safety Statements  36/37-60-61
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  DL4550000
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29342020
Storage Class 13 - Non Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
Hazardous Substances Data 120-78-5(Hazardous Substances Data)
Toxicity LD50 oral in rat: > 12gm/kg

MSDS

Usage And Synthesis

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