Formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride (C8Cl6O2)
Identification of 2,3,5,6-Tetrachloroterephthaloyl dichloride Chemical Compound
| 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 |
Chemical Formula Description
The 2,3,5,6-Tetrachloroterephthaloyl dichloride molecule contains a total of 16 atom(s). There are 8 Carbon atom(s), 2 Oxygen atom(s), and 6 Chlorine atom(s). A chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride can therefore be written as:
C8Cl6O2
The chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying 2,3,5,6-Tetrachloroterephthaloyl dichloride Molecule
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Structure Data File (SDF/MOL File) of 2,3,5,6-Tetrachloroterephthaloyl dichloride
The structure data file (SDF/MOL File) of 2,3,5,6-Tetrachloroterephthaloyl dichloride is available for download in the SDF page of 2,3,5,6-Tetrachloroterephthaloyl dichloride providing the information about the atoms, bonds, connectivity and coordinates of 2,3,5,6-Tetrachloroterephthaloyl dichloride, which is not completely available in the chemical formula representation. The 2,3,5,6-Tetrachloroterephthaloyl dichloride structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 2,3,5,6-Tetrachloroterephthaloyl dichloride
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 in the chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride and the chemical bonds that hold the atoms together.
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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 weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride.
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InChI (IUPAC International Chemical Identifier) information of 2,3,5,6-Tetrachloroterephthaloyl dichloride
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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.
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Other names (synonyms) or registry numbers of 2,3,5,6-Tetrachloroterephthaloyl dichloride
The 2,3,5,6-Tetrachloroterephthaloyl dichloride compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2,3,5,6-Tetrachloroterephthaloyl dichloride including the registry numbers is given 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 chemical formula of 2,3,5,6-Tetrachloroterephthaloyl dichloride? |
|---|
| C8Cl6O2 |
| How many atoms and what are they in the 2,3,5,6-Tetrachloroterephthaloyl dichloride structure? |
| 16 atom(s) - 8 Carbon atom(s), 2 Oxygen atom(s), and 6 Chlorine atom(s) |
| How many chemical bonds and what are they 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 molecular weight of 2,3,5,6-Tetrachloroterephthaloyl dichloride? |
| 340.8006 g/mol |
| What’s the SMILES string of 2,3,5,6-Tetrachloroterephthaloyl dichloride? |
| ClC(=O)c1c(Cl)c(Cl)c(C(Cl)=O)c(Cl)c1Cl |
| What’s the InChI 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 of 2,3,5,6-Tetrachloroterephthaloyl dichloride? |
| YJIRZJAZKDWEIJ-UHFFFAOYSA-N |
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technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).