CAS 64394-45-2 1,3,4,6-Tetrathiapentalene-2,5-dione

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Charge Transfer Complexes

1,3,4,6-Tetrathiapentalene-2,5-dione

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Catalog Number

ACM64394452-1

Product Name

1,3,4,6-Tetrathiapentalene-2,5-dione

Structure

CAS

64394-45-2

Category

Charge Transfer Complexes

IUPAC Name

[1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione

Molecular Weight

208.28

Molecular Formula

C4O2S4

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

Covalently-Bonded Unit Count

Exact Mass

207.878114g/mol

Formal Charge

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

MDL Number

MFCD00010403

MeSH Entry Terms

1,3,4,6-tetrathiapentalene-2,5-dione;TTP-DO

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.

Rotatable Bond Count

Signal Word

Danger

XLogP3

2.7

MSDS

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COA

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Spec Sheet

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