CAS 55492-86-9 Tris(tetrathiafulvalene) Bis(tetrafluoroborate) Complex

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Tris(tetrathiafulvalene) Bis(tetrafluoroborate) Complex

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Catalog Number

ACM55492869-2

Product Name

Tris(tetrathiafulvalene) Bis(tetrafluoroborate) Complex

Structure

CAS

55492-86-9

Category

Molecular Conductors

Synonyms

Tetrathiafulvalene Fluoroborate

IUPAC Name

2-(1,3-dithiol-1-ium-2-yl)-1,3-dithiol-1-ium;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;ditetrafluoroborate

Molecular Weight

786.62

Molecular Formula

C18H12S12·2BF4

Canonical SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1=C[S+]=C(S1)C2=[S+]C=CS2

InChI

InChI=1S/3C6H4S4.2BF4/c3*1-2-8-5(7-1)6-9-3-4-10-6;2*2-1(3,4)5/h3*1-4H;;/q;;+2;2*-1

InChI Key

IJZRAQUJMWAFMU-UHFFFAOYSA-N

Melting Point

96 °C

Purity

>96.0%(GC)

Appearance

Black powder to crystal

Storage

Store under inert gas

Complexity

291

Covalently-Bonded Unit Count

Exact Mass

785.76459g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.

Heavy Atom Count

MDL Number

MFCD00145489

Monoisotopic Mass

785.76459g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.

Refractive Index

1.48

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

0.87

MSDS

Download MSDS

COA

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Spec Sheet