1,3,4,6-Tetrathiapentalene-2,5-dione
Catalog Number
ACM64394452-1
CAS
64394-45-2
IUPAC Name
[1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione
Molecular Weight
208.28
Molecular Formula
C4O2S4
Product Information
Canonical SMILES
C12=C(SC(=O)S1)SC(=O)S2
InChI
InChI=1S/C4O2S4/c5-3-7-1-2(9-3)10-4(6)8-1
InChI Key
XMQJUIFJLYEFQR-UHFFFAOYSA-N
Melting Point
178 °C
Purity
>98.0%(HPLC)
Appearance
Light orange to Yellow to Green powder to crystal
Storage
Store under inert gas
Complexity
210
Condition to avoid
Light Sensitive
Exact Mass
207.878114g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Heavy Atom Count
10
MDL Number
MFCD00010403
Monoisotopic Mass
207.878114g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P285 : In case of inadequate ventilation wear respiratory protection.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P272 : Contaminated work clothing must not be allowed out of the workplace.P342 + P311 : If experiencing respiratory symptoms: Call a POISON CENTER/doctor.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.P304 + P341 : IF INHALED: If breathing is difficult, remove person to fresh air and keep comfortable for breathing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
1240169
Rotatable Bond Count
0
Signal Word
Danger
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