870196-80-8

Name 4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid, min. 97%
CAS 870196-80-8
Molecular Formula C19H33NO2S3
MDL Number MFCD11040288
Molecular Weight 403.673
MOL File 870196-80-8.mol
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Chemical Properties

Melting point  59-62°C
Boiling point  576.4±50.0 °C(Predicted)
density  1.111
storage temp.  ?20°C
form  solid
pka 4.07±0.10(Predicted)
color  pale yellow
Sensitive  light sensitive
InChI InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)
InChIKey RNTXYZIABJIFKQ-UHFFFAOYSA-N
SMILES C(O)(=O)CCC(C#N)(SC(SCCCCCCCCCCCC)=S)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312+P330-P501
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
HS Code  2930.90.4950
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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