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6317-18-6

Name Methylenedithiocyanate
CAS 6317-18-6
EINECS(EC#) 228-652-3
Molecular Formula C3H2N2S2
MDL Number MFCD00001833
Molecular Weight 130.19
MOL File 6317-18-6.mol
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Chemical Properties

Definition Methylene bisthiocyanate.
Appearance yellow crystalline powder
Melting point  104-106 °C(lit.)
Boiling point  285.2±23.0 °C(Predicted)
density  1.492 (estimate)
refractive index  1.5300 (estimate)
Fp  >110°C
solubility  very slightly in Methanol
form  solid
color  White to Light yellow to Light orange
Stability: Stable, but moisture sensitive. Reacts vigorously with strong bases, strong oxidizing agents. Reacts with water.
Water Solubility  Decomposes in water. Slightly soluble in organic solvents.
InChI InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2
InChIKey JWZXKXIUSSIAMR-UHFFFAOYSA-N
SMILES C(SC#N)SC#N
CAS DataBase Reference 6317-18-6(CAS DataBase Reference)
NIST Chemistry Reference Thiocyanic acid, methylene ester(6317-18-6)
EPA Substance Registry System 6317-18-6(EPA Substance)

Safety Data

Hazard Codes  T,N,T+
Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37:Irritating to eyes and respiratory system .
R50:Very Toxic to aquatic organisms.
R43:May cause sensitization by skin contact.
R34:Causes burns.
R26:Very Toxic by inhalation.
R25:Toxic if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  XL1560000
TSCA  Yes
HazardClass  8
PackingGroup  II
HS Code  29309090
Safety Profile
Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazardous Substances Data 6317-18-6(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 55mg/kg

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