2,4,6-Tris(bromomethyl)mesitylene - ≥97% , CAS No.21988-87-4

CAS: 21988-87-4 Cat. No.: T168677 Molecular Weight: 398.96 EC Number: 244-697-1 PubChem CID: 89140

GRADE & PURITY ≥97%

Synonyms

2,4,6-Tris(bromomethyl)mesitylene, 98% | YSZC576 | AM85669 | DS-16599 | EINECS 244-697-1 | 1,3,5-tris(bromomethyl)-2,4,6-trimethyl benzene | BCP19671 | DTXSID70176408 | A846508 | BHIFXIATEXVOQA-UHFFFAOYSA-N | SCHEMBL258395 | 1,3,5,5-Tris(bromomethyl)-2,4,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 4, 6-Tris(bromomethyl)mesitylene, 98% | YSZC576 | AM85669 | DS-16599 | EINECS 244-697-1 | 1, 3, 5-tris(bromomethyl)-2, 4, 6-trimethyl benzene | BCP19671 | DTXSID70176408 | A846508 | BHIFXIATEXVOQA-UHFFFAOYSA-N | SCHEMBL258395 | 1, 3, 5, 5-Tris(bromomethyl)-2, 4,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755982
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755982
• Canonical Smiles: CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr
• IUPAC Name: 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
• InChIKey: BHIFXIATEXVOQA-UHFFFAOYSA-N
• INCHI: 1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3
• Isomeric SMILES: CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr
• WGK Germany: 3
• PubChem CID: 89140
• Molecular Weight: 398.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 186 °C
• Molecular Weight: 398.960 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 397.87 Da
• Monoisotopic Mass: 395.872 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 144.000
• 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

References

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2. Min Li, Weihua Liu, Xufeng Meng, Shuofeng Li, Qianqian Wang, Yaxing Guo, Yuanyuan Wu, Lin Hao, Xiumin Yang, Zhi Wang, Chun Wang, Qiuhua Wu.  (2022)  Facile synthesis of magnetic hypercrosslinked polymer for the magnetic solid-phase extraction of benzoylurea insecticides from honey and apple juice samples.  FOOD CHEMISTRY,      [PMID:35792491] [10.1016/j.foodchem.2022.133596]

3. Yue Zhang, Lin Liu, Wei-Guo Xu, Zheng-Bo Han.  (2021)  MOF@POP core–shell architecture as synergetic catalyst for high-efficient CO2 fixation without cocatalyst under mild conditions.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2021.101463]

4. Cong Liu, Weihua Liu, Qianqian Wang, Chun Wang, Qiuhua Wu.  (2025)  Construction of novel hyper-crosslinked polymers with adjustable hydrophilicity for efficient extraction of nitroimidazoles.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39855025] [10.1016/j.chroma.2025.465702]

5. Ling Yu, Hui Gao, Nan Zhang, Xian-Ming Zhang.  (2024)  Symmetry related proton conductivity tunability via aliovalent metal substitution in imidazolium templated stable metal-organic framework hybrid membranes.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39488896] [10.1016/j.jcis.2024.10.169]