CAS 64394-47-4 Bis(carbonyldithio)tetrathiafulvalene

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Charge Transfer Complexes

Bis(carbonyldithio)tetrathiafulvalene

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Catalog Number

ACM64394474-1

Product Name

Bis(carbonyldithio)tetrathiafulvalene

Structure

CAS

64394-47-4

Category

Charge Transfer Complexes

Synonyms

2,2'-Bis(1,3,4,6-tetrathiapentalene-5-one)

IUPAC Name

2-(5-oxo-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one

Molecular Weight

384.57

Molecular Formula

C8O2S8

Canonical SMILES

C1(=C2SC3=C(S2)SC(=O)S3)SC4=C(S1)SC(=O)S4

InChI

InChI=1S/C8O2S8/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5

InChI Key

JVSSQMMIVZRMMO-UHFFFAOYSA-N

Melting Point

178 °C

Purity

>95.0%(W)

Appearance

Light yellow to Brown powder to crystal

Storage

Store under inert gas

Complexity

504

Covalently-Bonded Unit Count

Exact Mass

383.766399g/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

MFCD00059965

Monoisotopic Mass

383.766399g/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

5.1

MSDS

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COA

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Spec Sheet

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