4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid Structure

4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid

Chemical Properties

Melting point 59-62°C
Boiling point 576.4±50.0 °C(Predicted)
Density  1.111
storage temp.  -20°C
pka 4.07±0.10(Predicted)
form  solid
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
UNSPSC Code 12352100
NACRES NA.23

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312+P330-P501
Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
HS Code  2930.90.4950
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
2 0

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