Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B1(OB(OB(O1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl |
|---|---|
| IUPAC Name | 2,4,6-tris(3,4-dichlorophenyl)-1,3,5,2,4,6-trioxatriborinane |
| InChIKey | ACMLOUSDQIZBAK-UHFFFAOYSA-N |
| INCHI | 1S/C18H9B3Cl6O3/c22-13-4-1-10(7-16(13)25)19-28-20(11-2-5-14(23)17(26)8-11)30-21(29-19)12-3-6-15(24)18(27)9-12/h1-9H |
| Isomeric SMILES | B1(OB(OB(O1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl |
| PubChem CID | 44629844 |
| Molecular Weight | 518.4 |
| Reaxy-Rn | 19311201 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Organoboroxines Aryl chlorides Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organochlorides Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2-dichlorobenzene - Organoboroxine - Aryl halide - Aryl chloride - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organic metalloid moeity - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Molecular Weight | 518.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 517.893 Da |
| Monoisotopic Mass | 515.896 Da |
| Topological Polar Surface Area | 27.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 495.000 |
| 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 |