Cas no 79415-46-6 (Benzene, pentabromo(ethoxymethyl)-)

Benzene, pentabromo(ethoxymethyl)- structure
79415-46-6 structure
Product Name:Benzene, pentabromo(ethoxymethyl)-
CAS No:79415-46-6
MF:C9H7Br5O
MW:530.671279191971
CID:1800125
PubChem ID:12691588
Update Time:2025-04-21

Benzene, pentabromo(ethoxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, pentabromo(ethoxymethyl)-
    • 1,2,3,4,5-pentabromo-6-(ethoxymethyl)benzene
    • DTXSID00507049
    • 79415-46-6
    • XFODZBFAUIPPPP-UHFFFAOYSA-N
    • 2,3,4,5,6-Pentabromobenzyl alcohol, ethyl ether
    • 2,3,4,5,6-pentabromobenzyl ethyl ether
    • Inchi: 1S/C9H7Br5O/c1-2-15-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H2,1H3
    • InChI Key: XFODZBFAUIPPPP-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=C(C=1COCC)Br)Br)Br)Br

Computed Properties

  • Exact Mass: 529.63728g/mol
  • Monoisotopic Mass: 525.64138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 5.4
  • Topological Polar Surface Area: 9.2?2

Benzene, pentabromo(ethoxymethyl)- Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethanol ,  Water
Reference
Polybromoaromatic compounds: IX. Reactions of polybromobenzyl bromides with enolates derived from some dicarbonyl compounds
Shishkin, V. N.; Vakaeva, S. S.; Belozerov, A. I.; Tanaseichuk, B. S.; Butin, K. P., Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii), 2001, 37(7), 975-980

Production Method 2

Reaction Conditions
1.1 Solvents: Ethanol ,  Water ;  15.5 h, 78 °C
Reference
Polybromoaromatic Compounds: XI. Reactions of 2,3,4,5,6-Pentabromobenzyl Bromide with Alcohols and Alkali Metal Alkoxides
Shishkin, V. N.; Vakaeva, S. S.; Butin, K. P., Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii), 2002, 38(5), 709-712

Benzene, pentabromo(ethoxymethyl)- Raw materials

Benzene, pentabromo(ethoxymethyl)- Preparation Products

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