CAS 40210-84-2 Tetrathiafulvalene - 7,7,8,8-Tetracyanoquinodimethane Complex

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Tetrathiafulvalene - 7,7,8,8-Tetracyanoquinodimethane Complex

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Catalog Number

ACM40210842-2

Product Name

Tetrathiafulvalene - 7,7,8,8-Tetracyanoquinodimethane Complex

Structure

CAS

40210-84-2

Category

Electronic Materials

Synonyms

TTF - TCNQ Complex

IUPAC Name

2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;2-(1,3-dithiol-2-ylidene)-1,3-dithiole

Molecular Weight

408.53

Molecular Formula

C6H4S4·C12H4N4

Canonical SMILES

C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N.C1=CSC(=C2SC=CS2)S1

InChI

InChI=1S/C12H4N4.C6H4S4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;1-2-8-5(7-1)6-9-3-4-10-6/h1-4H;1-4H

InChI Key

OIXMVDHMELKBDX-UHFFFAOYSA-N

Melting Point

226 °C

Purity

>98.0%(N)

Appearance

Gray to Dark purple to Black powder to crystal

Storage

Store under inert gas

Complexity

717

Covalently-Bonded Unit Count

Exact Mass

407.963181g/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

MFCD03791115

Monoisotopic Mass

407.963181g/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.

Refractive Index

1.48

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

0.87

MSDS

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COA

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Spec Sheet