2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene
Catalog Number
ACM132765367
CAS
132765-36-7
IUPAC Name
3-[[2-[4,5-bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile
Molecular Weight
544.83
Molecular Formula
C18H16N4S8
Product Information
Canonical SMILES
C(CSC1=C(SC(=C2SC(=C(S2)SCCC#N)SCCC#N)S1)SCCC#N)C#N
InChI
InChI=1S/C18H16N4S8/c19-5-1-9-23-13-14(24-10-2-6-20)28-17(27-13)18-29-15(25-11-3-7-21)16(30-18)26-12-4-8-22/h1-4,9-12H2
InChI Key
OFNXHINRTQFOKX-UHFFFAOYSA-N
Melting Point
191 °C
Purity
>98.0%(HPLC)(N)
Appearance
Orange to Brown powder to crystal
Storage
Store under inert gas
Complexity
782
Condition to avoid
Air Sensitive
Exact Mass
543.914066g/mol
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
30
MDL Number
MFCD00041953
Monoisotopic Mass
543.914066g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
Reaxys Registry Number
6942129
Rotatable Bond Count
12
Signal Word
Danger
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