566939-58-0

Name 1,3-Dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
CAS 566939-58-0
Molecular Formula C14H17Br2NO2S
MDL Number MFCD18804055
Molecular Weight 423
MOL File 566939-58-0.mol
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Chemical Properties

Melting point  105.0 to 109.0 °C
Boiling point  457.8±45.0 °C(Predicted)
density  1.621
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
form  powder to crystal
pka -3.32±0.20(Predicted)
color  White to Light yellow to Light orange
InChI InChI=1S/C14H17Br2NO2S/c1-2-3-4-5-6-7-8-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h2-8H2,1H3
InChIKey GSGMEQUXTCYOAU-UHFFFAOYSA-N
SMILES N1(CCCCCCCC)C(=O)C2=C(Br)SC(Br)=C2C1=O
Odor Orange powder/crystals

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2934.99.9001
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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