Cas no 54514-31-7 (1-bromo-2-(2-methylpropoxy)benzene)

1-Bromo-2-(2-methylpropoxy)benzene is a brominated aromatic ether compound with the molecular formula C??H??BrO. This chemical is characterized by the presence of a bromine substituent and a 2-methylpropoxy (isobutoxy) group on a benzene ring, making it a versatile intermediate in organic synthesis. Its structure allows for further functionalization, particularly in cross-coupling reactions such as Suzuki or Ullmann couplings, where the bromine atom serves as a reactive site. The compound is useful in pharmaceutical and agrochemical research for constructing complex molecules. Its stability and well-defined reactivity profile make it a reliable reagent for selective aromatic substitutions and ether-based transformations.
1-bromo-2-(2-methylpropoxy)benzene structure
54514-31-7 structure
Product Name:1-bromo-2-(2-methylpropoxy)benzene
CAS No:54514-31-7
MF:C10H13BrO
MW:229.113622426987
MDL:MFCD09941989
CID:1589564
PubChem ID:18925773
Update Time:2025-10-20

1-bromo-2-(2-methylpropoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-2-(2-methylpropoxy)benzene
    • 1-Bromo-2-isobutoxybenzene
    • 2-Bromophenyl isobutyl ether
    • benzene, 1-bromo-2-(2-methylpropoxy)-
    • LogP
    • 2-isobutoxybromobenzene
    • DTXSID501295528
    • DA-05025
    • AKOS000188281
    • CS-0453575
    • 54514-31-7
    • SCHEMBL6468101
    • 1-Bromo-2-iso-butyloxybenzene
    • MDL： MFCD09941989
    • Inchi： 1S/C10H13BrO/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
    • InChI Key： DCOQYOOGBVINTA-UHFFFAOYSA-N
    • SMILES： BrC1C=CC=CC=1OCC(C)C

Computed Properties

  • Exact Mass: 228.01499
  • Monoisotopic Mass: 228.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 125
  • 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: 4.2
  • Topological Polar Surface Area: 9.2A^2

Experimental Properties

  • Density: 1.276
  • Boiling Point: 252.4°C at 760 mmHg
  • Flash Point: 111°C
  • Refractive Index: 1.518
  • PSA: 9.23

1-bromo-2-(2-methylpropoxy)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB429543-1 g
1-Bromo-2-iso-butyloxybenzene; .
 54514-31-7
1 g
 €602.60 2023-07-18
abcr
AB429543-1g
1-Bromo-2-iso-butyloxybenzene; .
 54514-31-7
1g
 €448.50 2025-02-20
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1524242-1g
1-Bromo-2-isobutoxybenzene
 54514-31-7 98%
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 ￥2808.00 2024-05-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1524242-5g
1-Bromo-2-isobutoxybenzene
 54514-31-7 98%
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 ￥8985.00 2024-05-09
abcr
AB429543-250mg
1-Bromo-2-iso-butyloxybenzene; .
 54514-31-7
250mg
 €250.80 2025-02-20
abcr
AB429543-500mg
1-Bromo-2-iso-butyloxybenzene; .
 54514-31-7
500mg
 €336.30 2025-02-20
abcr
AB429543-5g
1-Bromo-2-iso-butyloxybenzene; .
 54514-31-7
5g
 €1466.50 2025-02-20
abcr
AB429543-10g
1-Bromo-2-iso-butyloxybenzene; .
 54514-31-7
10g
 €2453.70 2025-02-20

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