CAS 31366-25-3 Tetrathiafulvalene (purified by sublimation)

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Tetrathiafulvalene (purified by sublimation)

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Catalog Number

ACM31366253-1

CAS Number

31366-25-3

Product Name

Tetrathiafulvalene (purified by sublimation)

Structure

Category

Molecular Conductors

Synonyms

TTF (purified by sublimation)

IUPAC Name

2-(1,3-dithiol-2-ylidene)-1,3-dithiole

Molecular Weight

204.34

Molecular Formula

C6H4S4

Canonical SMILES

C1=CSC(=C2SC=CS2)S1

InChI

InChI=1S/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H

InChI Key

FHCPAXDKURNIOZ-UHFFFAOYSA-N

Melting Point

120 °C

Purity

>99.0%(GC)

Appearance

Orange to Brown powder to crystal

Storage

Store under inert gas

Complexity

182

Covalently-Bonded Unit Count

EC Number

250-593-7

Exact Mass

203.919585g/mol

Formal Charge

Hazard Statements

H351 : Suspected of causing cancer.

Heavy Atom Count

MDL Number

MFCD00005492

MeSH Entry Terms

1,4,5,8-tetrathiafulvalene;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;bis-1,3-dithiole;delta-2,2'-bi-1,3-dithiole;NSC-222862;tetrathiafulvalene

Monoisotopic Mass

203.919585g/mol

NSC Number

222862

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P405 : Store locked up.

Refractive Index

1.48

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

0.87

UNII

HY1EN16W9T

XLogP3

2.5

MSDS