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DITHIANON Structure

DITHIANON

Chemical Properties

Melting point 225°
Boiling point 402.1±45.0 °C(Predicted)
Density  d18 1.55
refractive index  1.6360 (estimate)
storage temp.  0-6°C
Water Solubility  0.5mg/L(temperature not stated)
Merck  13,3404
BRN  1325563
Henry's Law Constant 1.7×105 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
environmental
InChI 1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
InChIKey PYZSVQVRHDXQSL-UHFFFAOYSA-N
SMILES O=C1C2=C(SC(C#N)=C(S2)C#N)C(=O)c3ccccc13
LogP 2.840
CAS DataBase Reference 3347-22-6(CAS DataBase Reference)
NIST Chemistry Reference Dithianone(3347-22-6)
EPA Substance Registry System Dithianon (3347-22-6)

Safety Information

Hazard Codes  Xn;N,N,Xn
Risk Statements  22-50/53
Safety Statements  24-60-61
RIDADR  UN 3077
WGK Germany  3
RTECS  QL0700000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Hazardous Substances Data 3347-22-6(Hazardous Substances Data)
Toxicity LD50 orally in rats, guinea pigs: 638, 110 mg/kg (Amadori, Heupt)

MSDS

Usage And Synthesis

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