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Dithioterephthalic acid, a chemical compound with the formula C8H6O4S2, is a white powder that is sparingly soluble in water. It is a derivative of terephthalic acid, featuring two thioether groups in its structure. DITHIOTEREPHTHALIC ACID is a promising building block for the preparation of various coordination polymers and metal-organic frameworks, and it is also used in the synthesis of sulfur-containing organic compounds. Its potential applications in the field of chemistry and materials science make it a compound of interest for the development of new materials.

1076-98-8

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1076-98-8 Usage

Uses

Used in Organic Synthesis:
Dithioterephthalic acid is used as a key intermediate in the synthesis of various sulfur-containing organic compounds, contributing to the development of new chemical entities with potential applications in pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Coordination Polymers and Metal-Organic Frameworks:
In the field of materials science, dithioterephthalic acid serves as a building block for the preparation of coordination polymers and metal-organic frameworks. These materials have potential applications in gas storage, catalysis, and sensing due to their unique structural and functional properties.
Used in the Preparation of New Materials:
Dithioterephthalic acid is a promising compound for the development of new materials with enhanced properties. Its incorporation into various chemical structures can lead to materials with improved performance in areas such as thermal stability, mechanical strength, and chemical resistance, making them suitable for a wide range of applications in industries such as plastics, coatings, and composites.

Check Digit Verification of cas no

The CAS Registry Mumber 1076-98-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 6 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1076-98:
(6*1)+(5*0)+(4*7)+(3*6)+(2*9)+(1*8)=78
78 % 10 = 8
So 1076-98-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H6O2S2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H,9,11)(H,10,12)

1076-98-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name benzene-1,4-dicarbothioic S-acid

1.2 Other means of identification

Product number -
Other names EINECS 214-069-1

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1076-98-8 SDS

1076-98-8Relevant academic research and scientific papers

Synthesis and structures of perthio- and polymeric metal complexes with the tetrathio- and dithioterephthalate ligands Dedicated to Prof. George Christou on the occasion of his 60th birthday.

Paital, Alok R.,Zhan, Jiangjun,Kim, Rory,Kampf, Jeff,Collins, Patrick,Coucouvanis, Dimitri

, p. 328 - 338 (2013/10/08)

The thioterephthalate anions [1,4-(CS2)2C 6H4]2-, TTT, (I); [1,4-(CS2)(CO 2)C6H4]2-, DTT, (III); and, [1,4-(COS)(COS)C6H4]2-, DCT, (IV) have been synthesized and isolated as tetraphenylphosphonium (Ph4P)+ salts, (I, III, IV), tetra n-butylammonium (n-Bu4N)2TTT (II) and tetra-ethyl ammonium (Et4N)2TTT salts (IIa). I, IIa and IV have been characterized structurally. The S2C-C 6H4 dihedral angles Φ vary from 7 to 44. The electronic spectra of the green Ph4P+ (I) (Φ = 16) and the red Et4N+ (IIa) (Φ = 44) salts in CH 3CN solution are identical and indicate a low energy barrier to rotation about the S2C-C6H4 bond. The (-CS 2) groups in I and III react with either Cu(I)/S or with Cu(II) and undergo a sulfur addition reaction to give the "sulfur-rich" (-CS 3)- units that are coordinated to Cu(I) as bidentate chelates in the diamagnetic [ClCuS3C-C6H 4-CS3CuCl]2-, (V) and [XCuS3C-C 6H4-CO2]2-, (VI), (X = Cl -, Br-) complexes. In the latter the Cu(I) ions are bound to halide ligands and display a distorted trigonal planar coordination. Generation of S2-, or S22-, by cleavage of the C-S bonds, also occurs in the solid state synthesis of the unique [(n-BuS)2Ni 12(S)8(S2)6]2- cluster (IX), at 140 C, by the reaction of Ni(OAc)2·4H2O with II. The [Ni12(S)8(S2)6] core in IX is best described as a distorted S8 cube with 12 Ni(II)S 4 square planar units located at the centers of the cube edges. Six S22- ligands one on each of the six, S8, cube faces, are quadruply bridging the Ni ions. Two n-Bu+ groups are bound, to two of the S2- ligands that define one of the S8 cube diagonals. A bridging mode of IV and III is found in {[Cu(DCT)(PPh3)] -}n, (X) and {Ni(DTT)3Zn2(DMSO) 6}n, (XI), respectively. In the polymeric X, the trigonal planar Cu(I) ions are bound to the S donors of two IV ligands and one PPh3. In XI, the Ni(II) ion is octahedrally coordinated by three CS2 groups from two "bridging" and one "terminal" type DTT ligands. The CO2 groups of the "bridging" ligands are bound in a mono-dentate bridging fashion to one of the four-coordinate Zn(II) ions and the "terminal ligand" is coordinated in a bi-dentate fashion to a non-bridging six-coordinate Zn(II) ion. Dimethylsulfoxide molecules complete the coordination spheres around the Zn(II) ions.

Pesticidal compositions containing phosphoric esters and divalent sulphur compounds

-

, (2008/06/13)

Pesticidal composition comprising: a pesticidal, phosphoric ester the molecule of which has at least one alkyl group of 1 to 3 carbon atoms, 0.05 to 10% of an agent stabilizing the said ester against decomposition by protonisation, together with adjuvants characterized in that the stabilizing agent comprises at least one sulphur compound containing per molecule at least one divalent sulphur atom of which one valence is bonded to an atom chosen from sulphur, carbon, nitrogen, hydrogen, and metals capable of giving a salt, the other valence being bonded to an atom chosen from hydrogen, the carbon atom already noted, a second carbon atom, the nitrogen atom already noted, a second nitrogen atom, the metal atom already noted in the case of a metal of valence greater than one, a second atom of metal and oxygen when the first valence is not attached to an atom of hydrogen, the proportion of sulphur calculated with reference to the weight of the sulphur compound being between 5 and 99%. Process for stabilizing a phosphoric ester of which the molecule possesses at least one alkyl group containing 1 to 3 carbon atoms characterized in that there is added to the phosphoric ester or to a mixture which contains it, 0.05 to 10% calculated on the weight of the phosphoric acid ester of an agent capable of stabilizing the said phosphoric ester against protonisation and comprising at least one sulphur compound such as that defined thereupon.

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