CAS 1487-82-7 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane

NAVIGATION

2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane

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Catalog Number

ACM1487827-1

CAS Number

1487-82-7

Product Name

2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane

Structure

Category

Electronic Materials; Molecular Conductors

IUPAC Name

2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile

Molecular Weight

232.25

Molecular Formula

C14H8N4

Canonical SMILES

CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)C

InChI

InChI=1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3

InChI Key

DFJXWQJAMNCPII-UHFFFAOYSA-N

Melting Point

218 °C

Purity

>98.0%(N)

Appearance

Light yellow to Brown powder to crystal

Storage

Store under inert gas

Complexity

631

Covalently-Bonded Unit Count

Exact Mass

232.074896g/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

MFCD00130123

Monoisotopic Mass

232.074896g/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

0.8

MSDS

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COA

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Spec Sheet

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