Cas no 79415-41-1 (2,3,4,5,6-Pentabromobenzyl alcohol)

2,3,4,5,6-Pentabromobenzyl alcohol structure
79415-41-1 structure
Product Name:2,3,4,5,6-Pentabromobenzyl alcohol
CAS No:79415-41-1
MF:C7H3Br5O
MW:502.618118524551
MDL:MFCD00192377
CID:572802
PubChem ID:87575522
Update Time:2024-10-27

2,3,4,5,6-Pentabromobenzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,2,3,4,5,6-pentabromo-
    • Pentabromobenzyl Alcohol
    • (2,3,4,5,6-pentabromophenyl)methanol
    • 2,3,4,5,6-Pentabromobenzyl alcohol
    • 2,3,4,5,6-PENTABROMOBENZYLALCOHOL
    • (PENTABROMOPHENYL)METHANOL
    • KKWHDMUCBWSKGL-UHFFFAOYSA-
    • KKWHDMUCBWSKGL-UHFFFAOYSA-N
    • FCH1319976
    • P1457
    • 415P411
    • InChI=1/C7H3Br5O/c8-3-2(1-1
    • C13289
    • MFCD00192377
    • SCHEMBL2231158
    • InChI=1/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
    • Q-200161
    • CS-16943
    • 2,3,4,5,6-Pentabromobenzyl alcohol, 97%
    • 79415-41-1
    • DTXSID00370053
    • AKOS015835155
    • CS-B1748
    • 2,3,4,5,6-Pentabromobenzenemethanol (ACI)
    • MDL: MFCD00192377
    • Inchi: 1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
    • InChI Key: KKWHDMUCBWSKGL-UHFFFAOYSA-N
    • SMILES: BrC1C(Br)=C(Br)C(CO)=C(Br)C=1Br

Computed Properties

  • Exact Mass: 497.61000
  • Monoisotopic Mass: 497.61008g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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
  • Topological Polar Surface Area: 20.2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.5

Experimental Properties

  • Color/Form: White to light yellow crystalline powder.
  • Density: 2.6939 (rough estimate)
  • Melting Point: 260?°C (dec.) (lit.)
  • Boiling Point: 473.8±40.0 °C at 760 mmHg
  • Flash Point: 240.3±27.3 °C
  • Refractive Index: 1.5000 (estimate)
  • PSA: 20.23000
  • LogP: 4.99140
  • Solubility: Insoluble in water.
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

2,3,4,5,6-Pentabromobenzyl alcohol Security Information

2,3,4,5,6-Pentabromobenzyl alcohol Customs Data

  • HS CODE:29062900

2,3,4,5,6-Pentabromobenzyl alcohol Pricemore >>

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2,3,4,5,6-Pentabromobenzyl alcohol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Water Solvents: Water
Reference
Polybromo-aromatic compounds. I. Synthesis of some derivatives containing a pentabromophenyl residue
Tanaseichuk, B. S.; Rumyantseva, K. S.; Vasin, V. A.; Shishkin, V. N.; Rumyantsev, N. P.; et al, Zhurnal Organicheskoi Khimii, 1981, 17(6), 1270-5

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

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Dimethyl sulfoxide
1.2 Reagents: Water
Reference
Polybromoaromatic compounds: VIII. Specific features of pentabromobenzyl bromide hydrolysis in some solvents
Shishkin, V. N.; Vakaeva, S. S.; Vel'dyaskina, N. E.; Tanaseichuk, B. S., Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii), 2000, 36(8), 1163-1167

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane ,  Water
Reference
Polybromoaromatic compounds: VIII. Specific features of pentabromobenzyl bromide hydrolysis in some solvents
Shishkin, V. N.; Vakaeva, S. S.; Vel'dyaskina, N. E.; Tanaseichuk, B. S., Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii), 2000, 36(8), 1163-1167

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Water Solvents: Water
Reference
Unusual course of the reaction of pentabromobenzyl bromide with diethyl sodiomalonate
Rumyantseva, K. S.; Tanaseichuk, B. S.; Shishkin, V. N.; Zotova, L. V., Zhurnal Organicheskoi Khimii, 1983, 19(6),

Production Method 6

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

2,3,4,5,6-Pentabromobenzyl alcohol Raw materials

2,3,4,5,6-Pentabromobenzyl alcohol Preparation Products

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