CAS 68271-98-7 Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethanide

NAVIGATION

Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethanide

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Catalog Number

ACM68271987-1

CAS Number

68271-98-7

Product Name

Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethanide

Structure

Category

Molecular Conductors

Synonyms

Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethane Complex
TCNDQ

IUPAC Name

[2-[4-[4-(2-azanidylidene-1-cyanoethenyl)phenyl]phenyl]-2-cyanoethenylidene]azanide;tetrabutylazanium

Molecular Weight

765.23

Molecular Formula

C50H80N6

Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C2=CC=C(C=C2)C(=C=[N-])C#N)C(=C=[N-])C#N

InChI

InChI=1S/C6H11N2.CBF6/c1-3-8-5-4-7(2)6-8;3-1(4,5)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1

InChI Key

YTANZWHOSGQGAP-UHFFFAOYSA-N

Melting Point

174 °C

Purity

>98.0%(N)

Appearance

Light yellow to Yellow to Orange powder to crystaline

Storage

Store under inert gas

Complexity

628

Covalently-Bonded Unit Count

Exact Mass

764.644447g/mol

Formal Charge

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00213933

Monoisotopic Mass

764.644447g/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 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Rotatable Bond Count

Signal Word

Warning

MSDS

Download MSDS

COA

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Spec Sheet

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