Cas no 42196-29-2 (2-bromo-1,4-bis(propan-2-yl)benzene)

2-Bromo-1,4-bis(propan-2-yl)benzene is a brominated aromatic compound featuring two isopropyl substituents at the 1,4-positions of the benzene ring. This structure imparts steric hindrance and electronic effects, making it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig amination. The bromine atom serves as a reactive site for further functionalization, while the isopropyl groups enhance solubility in nonpolar solvents and influence regioselectivity. Its stability under standard conditions and compatibility with various catalysts make it suitable for pharmaceutical and materials science applications. The compound is typically characterized by NMR and GC-MS for purity verification.
2-bromo-1,4-bis(propan-2-yl)benzene structure
42196-29-2 structure
Product Name:2-bromo-1,4-bis(propan-2-yl)benzene
CAS No:42196-29-2
MF:C12H17Br
MW:241.167382955551
CID:2637089
PubChem ID:11958980
Update Time:2025-06-07

2-bromo-1,4-bis(propan-2-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1,4-di(propan-2-yl)benzene
    • 2-bromo-1,4-bis(propan-2-yl)benzene
    • EN300-1717800
    • 859-106-8
    • KSFMKBVDTMONEL-UHFFFAOYSA-N
    • Benzene, 2-bromo-1,4-bis(1-methylethyl)-
    • DTXSID50474757
    • SBA19629
    • 2-bromo-1,4-diisopropylbenzene
    • 42196-29-2
    • SCHEMBL3189801
    • G21165
    • 2,5-diisopropylbromobenzene
    • 2,5-Diisopropyl-1-bromo-benzene
    • Inchi： 1S/C12H17Br/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,1-4H3
    • InChI Key： KSFMKBVDTMONEL-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=CC=1C(C)C)C(C)C

Computed Properties

  • Exact Mass: 240.05136Da
  • Monoisotopic Mass: 240.05136Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 0?2

2-bromo-1,4-bis(propan-2-yl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AD30581-50mg
2-bromo-1,4-bis(propan-2-yl)benzene
 42196-29-2 95%
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A2B Chem LLC
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A2B Chem LLC
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A2B Chem LLC
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A2B Chem LLC
AD30581-1g
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A2B Chem LLC
AD30581-2.5g
2-bromo-1,4-bis(propan-2-yl)benzene
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A2B Chem LLC
AD30581-5g
2-bromo-1,4-bis(propan-2-yl)benzene
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A2B Chem LLC
AD30581-10g
2-bromo-1,4-bis(propan-2-yl)benzene
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Enamine
EN300-1717800-0.05g
2-bromo-1,4-bis(propan-2-yl)benzene
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Enamine
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