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4621-66-3

Name THIONICOTINAMIDE
CAS 4621-66-3
EINECS(EC#) 225-036-6
Molecular Formula C6H6N2S
MDL Number MFCD00006399
Molecular Weight 138.19
MOL File 4621-66-3.mol

Chemical Properties

Appearance yellow powder
Melting point  185-190 °C
Boiling point  278.9±32.0 °C(Predicted)
density  1.235 (estimate)
refractive index  1.5300 (estimate)
Fp  160 °C
storage temp.  Inert atmosphere,Room Temperature
form  Powder
pka 12.01±0.29(Predicted)
color  Yellow to yellow-green
Detection Methods HPLC,NMR
BRN  109593
InChI InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey XQWBMZWDJAZPPX-UHFFFAOYSA-N
SMILES C1=NC=CC=C1C(N)=S
LogP 0.670
CAS DataBase Reference 4621-66-3(CAS DataBase Reference)
EPA Substance Registry System 3-Pyridinecarbothioamide (4621-66-3)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RTECS  QS4488000
TSCA  Yes
HazardClass  IRRITANT
HS Code  29333990

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