CAS 934-31-6 4,5-Dicyano-1,3-dithiol-2-one - Materials / Alfa Chemistry

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Charge Transfer Complexes

4,5-Dicyano-1,3-dithiol-2-one

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Catalog Number

ACM934316-1

Product Name

4,5-Dicyano-1,3-dithiol-2-one

Structure

CAS

934-31-6

Category

Charge Transfer Complexes

Synonyms

2-Oxo-1,3-dithiole-4,5-dicarbonitrile

IUPAC Name

2-oxo-1,3-dithiole-4,5-dicarbonitrile

Molecular Weight

168.19

Molecular Formula

C5N2OS2

Canonical SMILES

C(#N)C1=C(SC(=O)S1)C#N

InChI

InChI=1S/C5N2OS2/c6-1-3-4(2-7)10-5(8)9-3

InChI Key

BPDMXHRQYNWQSI-UHFFFAOYSA-N

Melting Point

124 °C

Purity

>98.0%(GC)

Appearance

White to Gray to Brown powder to crystal

Storage

Store under inert gas

Complexity

283

Covalently-Bonded Unit Count

Exact Mass

167.945205g/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

MFCD00137885

Monoisotopic Mass

167.945205g/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

1.2

MSDS

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COA

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Spec Sheet

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