24648-13-3

Basic information

• Product Name: 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)-
• Synonyms: Δ2,2'-Bi[4,5-[1,3]butadieno-1,3-dithiol];Dibenzotetrathiafulvalene 97%;DBTTF;1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)-;[2,2]Bi[benzo[1,3]dithiolylidene], DB-TTF;Dibenzotetrathiafulvalene;Δ2,2'-Bi(1,3-benzodithiol);Δ2,2'-Bi[1,3-benzodithiole]
• CAS NO: 24648-13-3
• Molecular Formula: C₁₄H₈S₄
• Molecular Weight: 304.47
• Mol File: 24648-13-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 239-243 °C
• Boiling Point: 367.1°C at 760 mmHg
• Flash Point: 207.5°C
• Appearance: /
• Density: 1.538g/cm³
• Vapor Pressure: 2.95E-05mmHg at 25°C
• Refractive Index: 1.853
• CAS DataBase Reference: 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)-(24648-13-3)
• EPA Substance Registry System: 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)-(24648-13-3)

Safety Data

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61
• RIDADR: UN 3077 9/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 24648-13-3(Hazardous Substances Data)

Usage

Explanation

1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)is derived from benzene, a basic structure in organic chemistry consisting of a six-carbon ring with alternating single and double bonds.

Explanation

The compound contains two sulfur atoms, which are part of the dithiolene ring system.

Explanation

A dithiolene ring system is a chemical structure consisting of a double bond and two sulfur atoms, which is present in this compound.

Explanation

The compound has unique electronic and optical properties that make it suitable for applications in organic electronics and materials science.

Explanation

Due to its electronic and optical properties, 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)can be used in the development of new materials and devices in the fields of organic electronics and materials science.

Explanation

The compound can act as a ligand, which is a molecule that binds to a central metal atom to form a coordination complex.

Explanation

When used as a ligand, 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)can form stable complexes with transition metals, which have potential applications in various fields.

Explanation

The compound may have properties that could be useful in the development of new drugs or therapies.

Explanation

Further research may be conducted to explore the potential medicinal uses of 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)based on its pharmacological properties.

InChI:InChI=1/C14H8S4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H

Upstream product

• 55315-56-5 2-(3-methylbutoxy)-1,3-benzodithiole 
• 100-52-7 benzaldehyde 
• 53301-48-7 2-methoxybenzo[d][1,3]dithiole 
• 103-84-4 Acetanilid 
• 80541-37-3 3-Benzo[1,3]dithiol-2-ylidene-benzo[1,4]dithiine-2-thione 
• 117156-71-5 C₂₅H₂₀PS₂⁽¹⁺⁾*F₆P^(1-) 
• 57842-27-0 1,3-benzodithiol-2-ylium tetrafluoroborate 
• 555-16-8 4-nitrobenzaldehdye 
• 62217-36-1 (1,3-benzodithiol-2-ylidene)triphenylphosphorane 
• 88070-48-8 N-methylbenzamide 
• 934-36-1 2-thioxo-1,3-benzodithiole 
• 128347-04-6 2,5-dioxa-7,9-dithiabicyclo<4.3.0>non-1(6)-en-8-one 
• 75-15-0 carbon disulfide 
• 1608-42-0 benzenedizolium-2-carboxylate 

Downstream Products

• 54928-14-2 dibenzotetrathiafulvalene * 7,7,8,8-tetracyano-p-quinodimethane 

Relevant articles and documents

REACTION OF 1,3-BENZODITHIOL-2-YLIDENES WITH ELEMENTAL SULFUR AND SELENIUM: A CONVENIENT PREPARATION OF 2-THIOXO- AND 2-SELENOXO-1,3-BENZODITHIOLES

A variety of 1,3-benzodithiol-2-ylidene carbenes react with elemental sulfur and selenium to give 2-thioxo- and 2-selenoxo-1,3-benzodithioles in good yields.

Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atoms

Five new substituted tetrathiafulvalene derivatives containing the acetoxyphenyl group as a side-chain have been synthesized using a Wittig-type condensation. Four of them contain peripheral selenium atoms. From cyclic voltammetry data, the electron donor abilities of the obtained compounds have been found to be similar to that of BEDT-TTF. The crystal structures of three of these new donors have been determined. A series of radical cation salts derived from these donors has been obtained by electrocrystallization; the electrical conductivity of these phases measured on compressed powder pellets range from 5 x 10-4 to 4 x 10-5 S cm-1. Charge transfer complexes have also been chemically prepared by using TCNQ as an electron acceptor; the electrical conductivity of their compressed powders range from 0.3 to 0.5 S cm-1. The crystal structure of one of these charge transfer complexes has been determined and shows that the donor and the acceptor entities form regular segregated stacks; its rather high conductivity, actually measured on powder, is in agreement with this structural feature.

Synthesis of unsimmetrically substituted tetrathiafulvalenes by the "ylid route". Investigations of selectivity.

The selective synthesis of unsimmetrically substituted tetrathiafulvalenes 1 (R R') using phosphonium ylids 2 and dithiolium salts 3 in THF at -80 deg C has been investigated.Several unsymmetrical tetrathiafulvalenes were obtained in good yield. R,R'=CH3; (CH2)4; o-C6H4.It was also shown that the instability of the phosphonium ylid 2 and dithiolylium 3 under the rreaction conditions leads to the formation of variable amounts of symmetrical terathiafulvalenes 1 (R = R').Therefore, purification of the mixture by column chromatography with CS2 as eluent was necessary.