Home SDF/Mol File This Compound
loading

SDF/Mol File of 2,3,5,6-Tetrachloroterephthaloyl dichloride (C8Cl6O2)

Identification of 2,3,5,6-Tetrachloroterephthaloyl dichloride Chemical Compound

2D chemical structure image of 2,3,5,6-Tetrachloroterephthaloyl dichloride
Chemical Formula C8Cl6O2
Molecular Weight 340.8006 g/mol
IUPAC Name 2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl dichloride
SMILES String ClC(=O)c1c(Cl)c(Cl)c(C(Cl)=O)c(Cl)c1Cl
InChI InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16
InChIKey YJIRZJAZKDWEIJ-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2,3,5,6-Tetrachloroterephthaloyl dichloride is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2,3,5,6-Tetrachloroterephthaloyl dichloride molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of 2,3,5,6-Tetrachloroterephthaloyl dichloride
Ball-and-stick model of 2,3,5,6-Tetrachloroterephthaloyl dichloride

chemical table area

loading image

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 2,3,5,6-Tetrachloroterephthaloyl dichloride Molecule

  • Chemical structure of 2,3,5,6-Tetrachloroterephthaloyl dichloride

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2,3,5,6-Tetrachloroterephthaloyl dichloride is available in chemical structure page of 2,3,5,6-Tetrachloroterephthaloyl dichloride, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 2,3,5,6-Tetrachloroterephthaloyl dichloride

    The molecular weight of 2,3,5,6-Tetrachloroterephthaloyl dichloride is available in molecular weight page of 2,3,5,6-Tetrachloroterephthaloyl dichloride, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride

    The chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride is given in chemical formula page of 2,3,5,6-Tetrachloroterephthaloyl dichloride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of 2,3,5,6-Tetrachloroterephthaloyl dichloride

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2,3,5,6-Tetrachloroterephthaloyl dichloride is:

    InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16

    It can provide a standard way to encode the molecular information of 2,3,5,6-Tetrachloroterephthaloyl dichloride to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2,3,5,6-Tetrachloroterephthaloyl dichloride is:

    InChIKey=YJIRZJAZKDWEIJ-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 2,3,5,6-Tetrachloroterephthaloyl dichloride, but it needs to be linked to the full InChI to get back to the original structure of the 2,3,5,6-Tetrachloroterephthaloyl dichloride since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 2,3,5,6-Tetrachloroterephthaloyl dichloride

    The 2,3,5,6-Tetrachloroterephthaloyl dichloride compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2,3,5,6-Tetrachloroterephthaloyl dichloride including the registry numbers are listed below, if available:

    • 2,3,5,6-tetrakis(chloranyl)benzene-1,4-dicarbonyl chloride
    • 3B1-007617
    • 1,4-Benzenedicarbonyldichloride, 2,3,5,6-tetrachloro-
    • I01-8943
    • C-20348
    • A837362
    • Z6024
    • 2,3,5,6-Tetrachloro-terephthaloyl chloride
    • 2,5,6-Tetrachloroterephthaloyl dichloride
    • 2,3,5,6-Tetrachloroterephthaloylchloride
    • 2,5,6-Tetrachloroterephthaloyl chloride
    • MFCD00018801
    • CM96O90UX1
    • Perchloroterephthaloyl chloride
    • C8Cl6O2
    • tetrachlorobenzene-1,4-dicarbonyl dichloride
    • CAS-719-32-4
    • W-104505
    • 2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl chloride
    • 1,4-Benzenedicarbonyl dichloride, 2,3,5,6-tetrachloro-
    • Terephthaloyl chloride, tetrachloro-
    • Tetrachloroterephthalic dichloride
    • 2,3,5,6-TETRACHLOROTEREPHTHALOYL CHLORIDE
    • Tetrachloroterephthaloyl dichloride
    • Tetrachloroterephthaloyl chloride
    • 2,3,5,6-Tetrachloroterephthaloyl dichloride
    • 719-32-4

2,3,5,6-Tetrachloroterephthaloyl dichloride Identification Summary Frequently Asked Questions (FAQs)

What’s the 2,3,5,6-Tetrachloroterephthaloyl dichloride formula?
C8Cl6O2
How many atoms and what elements are included in the 2,3,5,6-Tetrachloroterephthaloyl dichloride molecule?
16 atom(s) - 8 Carbon atom(s), 2 Oxygen atom(s), and 6 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the 2,3,5,6-Tetrachloroterephthaloyl dichloride structure?
16 bond(s) - 16 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 2 acyl halogenide(s) (aromatic)
What’s the 2,3,5,6-Tetrachloroterephthaloyl dichloride’s molar mass?
340.8006 g/mol
What’s the SMILES structure of 2,3,5,6-Tetrachloroterephthaloyl dichloride?
ClC(=O)c1c(Cl)c(Cl)c(C(Cl)=O)c(Cl)c1Cl
What’s the InChI code of 2,3,5,6-Tetrachloroterephthaloyl dichloride?
InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16
What’s the InChIKey format of 2,3,5,6-Tetrachloroterephthaloyl dichloride?
YJIRZJAZKDWEIJ-UHFFFAOYSA-N

21 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.