Hexakis(bromomethyl)benzene - ≥98%(HPLC)(T) , CAS No.3095-73-6

CAS: 3095-73-6 Cat. No.: H303404 Molecular Weight: 635.65 EC Number: 221-443-8

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

1,2,3,4,5,6-hexakis(bromomethyl)benzene | EN300-217848 | Hexa(bromomethyl)benzene | BS-43977 | AKOS004908004 | FT-0634659 | SY049143 | MFCD00182539 | DTXSID70184927 | Hexakis(bromomethyl)benzene, 98% | Benzene, hexakis(bromomethyl)- | doi:10.14272/XJOUCIL

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

1, 2, 3, 4, 5, 6-hexakis(bromomethyl)benzene | EN300-217848 | Hexa(bromomethyl)benzene | BS-43977 | AKOS004908004 | FT-0634659 | SY049143 | MFCD00182539 | DTXSID70184927 | Hexakis(bromomethyl)benzene, 98% | Benzene, hexakis(bromomethyl)- | doi:10.14272/XJOUCIL

Specifications & Purity

≥98%(HPLC)(T)

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 488185287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185287
• Canonical Smiles: C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br
• IUPAC Name: 1,2,3,4,5,6-hexakis(bromomethyl)benzene
• InChIKey: XJOUCILNLRXRTF-UHFFFAOYSA-N
• INCHI: 1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2
• Isomeric SMILES: C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br
• Molecular Weight: 635.65
• Reaxy-Rn: 801473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=801473&ln=

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

• Sensitivity: Light Sensitive,Moisture Sensitive
• Melt Point(°C): 290.0-297.0°C
• Molecular Weight: 635.600 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 635.598 Da
• Monoisotopic Mass: 629.604 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 163.000
• 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

1. Changxiang Guo, Dong Liu, Jinjia Wei, Fei Chen.  (2021)  Polymerized Ionic Networks Solid Electrolyte with High Ionic Conductivity for Lithium Batteries.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c05519]

2. Chen Chuanli, Yang Yuezhen, Zhang Lutong, Dai Wenbo, Lei Yunxiang, Liu Miaochang, Wu Huayue, Huang Xiaobo, Yan Dongpeng.  (2026)  Multiple hydrogen bonding enables large-area doped phosphorescent glasses with robust stability and high-temperature afterglow.  Nature Communications,      [PMID:41547867] [10.1038/s41467-026-68590-2]