2-Cyanopropan-2-yl benzodithioate Structure

2-Cyanopropan-2-yl benzodithioate

Chemical Properties

Melting point 31 °C
Boiling point 341℃
Density  1.146 g/mL at 25 °C
refractive index  n 20/D 1.621
Flash point > 110 °C - closed cup
storage temp.  2-8°C
form  powder to crystal
color  Light red to Red to Purple
Sensitive  light sensitive, store cold
InChI InChI=1S/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey IDSLBLWCPSAZBL-UHFFFAOYSA-N
SMILES C1(C(=S)SC(C#N)(C)C)=CC=CC=C1
Comptox DTXSID DTXSID30433403
UNSPSC Code 12352100
NACRES NA.23

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P280
Hazard Codes  Xi
Risk Statements  43
Safety Statements  36/37
WGK Germany  3
HS Code  2930909099
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Sens. 1

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2-Cyanopropan-2-yl benzodithioate Spectrum