CAS 132765-36-7 2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene

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2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene

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Catalog Number

ACM132765367

Product Name

2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene

CAS

132765-36-7

Category

Molecular Conductors

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

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

Covalently-Bonded Unit Count

Exact Mass

543.914066g/mol

Formal Charge

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

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.

Rotatable Bond Count

Signal Word

Danger

XLogP3

4.2

MSDS

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COA

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Spec Sheet

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