Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
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C109893-1ml
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1ml |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$55.90
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| Synonyms | Siclor | 2,4,5,6-Tetrachloro-3-cyanobenzonitrile | Bravo 500 | Daconil | Nopcocide N-96 | 1,3-Dicyano-2,4,5,6-tetrachlorobenzene | NCI-C00102 | Spectrum3_001896 | EINECS 217-588-1 | HSDB 1546 | Repulse | Spectrum_001557 | Tetrachlorisoftalonitril [Czech] |
|---|---|
| Specifications & Purity | analytical standard, 100ug/ml in petroleum ether |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | analytical standard |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Chlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | a small molecule |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile |
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| INCHI | InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 |
| InChIKey | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
| Smiles | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl |
| Isomeric SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl |
| UN Number | 3276 |
| Packing Group | I |
| Molecular Weight | 265.91 |
| Reaxy-Rn | 1978326 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1978326&ln= |
| Boil Point(°C) | 350°C |
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| Melt Point(°C) | 250-251°C |
| Molecular Weight | 265.900 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 265.879 Da |
| Monoisotopic Mass | 263.882 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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