Cas no 99857-52-0 (2-bromo-1-isobutoxy-4-methyl-benzene)

2-bromo-1-isobutoxy-4-methyl-benzene structure
99857-52-0 structure
Product Name:2-bromo-1-isobutoxy-4-methyl-benzene
CAS No:99857-52-0
MF:C11H15BrO
MW:243.140202760696
CID:1993007
PubChem ID:13749791
Update Time:2025-04-21

2-bromo-1-isobutoxy-4-methyl-benzene Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-isobutoxy-4-methyl-benzene
    • 2-Bromo-1-isobutoxy-4-methylbenzene
    • 2-Bromo-4-methylphenyl isobutyl ether
    • benzene, 2-bromo-4-methyl-1-(2-methylpropoxy)-
    • LogP
    • E90440
    • 99857-52-0
    • A1-17242
    • AKOS000262278
    • CS-0191340
    • 1-Bromo-2-iso-butyloxy-5-methylbenzene
    • 2-bromo-4-methyl-1-(2-methylpropoxy)benzene
    • 1-Bromo-2-isobutyloxy-5-methylbenzene
    • MDL: MFCD11156045
    • Inchi: 1S/C11H15BrO/c1-8(2)7-13-11-5-4-9(3)6-10(11)12/h4-6,8H,7H2,1-3H3
    • InChI Key: YVHDBWCXOLXDDD-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C)C=CC=1OCC(C)C

Computed Properties

  • Exact Mass: 242.03063Da
  • Monoisotopic Mass: 242.03063Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 147
  • 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: 4.3
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • Density: 1.242
  • Boiling Point: 275.527°C at 760 mmHg
  • Flash Point: 118.554°C
  • Refractive Index: 1.518

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