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Basic Description
| Synonyms | MFCD00000894 | NSC74461 | NSC-74461 | 1,4-Bis(chloromethyl)tetrachlorobenzene | 2,3,5,6-Tetrachloro-p-xylylene dichloride | H0065 | p-Xylene, .alpha.,.alpha.',2,3,5,6-hexachloro- | Benzene,2,4,5-tetrachloro-3,6-bis(chloromethyl)- | AKOS004905105 | NSC 744 |
|---|---|
| Specifications & Purity | ≥98%(GC) |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzyl halides
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl chlorides |
| Alternative Parents | Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl chloride - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504754043 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754043 |
| IUPAC Name | 1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene |
| INCHI | InChI=1S/C8H4Cl6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2 |
| InChIKey | IYGDLOMSJZQSGY-UHFFFAOYSA-N |
| Smiles | C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl |
| Isomeric SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl |
| Molecular Weight | 312.82 |
| Reaxy-Rn | 1879632 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1879632&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2209264 |
Certificate of Analysis | Apr 07, 2025 | H355233 |
| G2209285 |
Certificate of Analysis | Apr 07, 2025 | H355233 |
| C2214391 |
Certificate of Analysis | Dec 05, 2024 | H355233 |
| C2214383 |
Certificate of Analysis | Dec 05, 2024 | H355233 |
| G2209003 |
Certificate of Analysis | Jun 18, 2022 | H355233 |
Chemical and Physical Properties
| Melt Point(°C) | 181 °C |
|---|---|
| Molecular Weight | 312.800 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 311.841 Da |
| Monoisotopic Mass | 309.844 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 |
Solution Calculators
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