Cas no 858841-53-9 (1-Bromo-2-iodo-4-methylbenzene)

1-Bromo-2-iodo-4-methylbenzene structure
858841-53-9 structure
Product Name:1-Bromo-2-iodo-4-methylbenzene
CAS No:858841-53-9
MF:C7H6BrI
MW:296.931013584137
MDL:MFCD07784420
CID:717983
PubChem ID:16218088
Update Time:2024-10-26

1-Bromo-2-iodo-4-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-2-iodo-4-methylbenzene
    • 4-Bromo-3-iodotoluene
    • Benzene,1-bromo-2-iodo-4-methyl-
    • FLOUOTRVXNQGKP-UHFFFAOYSA-N
    • AS03378
    • Z0904
    • ST24037855
    • B5168
    • 1-Bromo-2-iodo-4-methylbenzene (ACI)
    • Toluene, 4-bromo-3-iodo- (3CI)
    • 3-Iodo-4-bromotoluene
    • MDL: MFCD07784420
    • Inchi: 1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
    • InChI Key: FLOUOTRVXNQGKP-UHFFFAOYSA-N
    • SMILES: BrC1C(I)=CC(C)=CC=1

Computed Properties

  • Exact Mass: 295.87000
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.9
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 2.084?g/mL?at 25?°C
  • Boiling Point: 150°C/20mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.646
  • PSA: 0.00000
  • LogP: 3.36210

1-Bromo-2-iodo-4-methylbenzene Security Information

1-Bromo-2-iodo-4-methylbenzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-Bromo-2-iodo-4-methylbenzene Pricemore >>

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1-Bromo-2-iodo-4-methylbenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoromethanesulfonic acid Solvents: Acetic acid ;  5 min, rt
1.2 Reagents: Sodium peroxoborate ;  30 min, rt; 20 h, 50 °C
2.1 Reagents: Boron trifluoride etherate Solvents: Acetonitrile ,  Dichloromethane ;  3 h, -78 °C
Reference
The Coming of Age in Iodane-Guided ortho-C-H Propargylation: From Insight to Synthetic Potential
Izquierdo, Susana ; et al, Chemistry - A European Journal, 2018, 24(58), 15517-15521

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Methylium, triphenyl-, tetrafluoroborate(1-) (1:1) Solvents: Acetonitrile ,  Dichloromethane ;  rt
1.2 Reagents: Water
Reference
Carbocation Catalyzed Bromination of Alkyl Arenes, a Chemoselective sp3 vs. sp2 C-H functionalization.
Ni, Shengjun; El Remaily, Mahmoud Abd El Aleem Ali Ali; Franzen, Johan, Advanced Synthesis & Catalysis, 2018, 360(21), 4197-4204

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid ,  Potassium iodide Solvents: Water
Reference
Ruthenium-Catalyzed Cycloisomerization of 2,2'-Diethynyl- biphenyls Involving Cleavage of a Carbon-Carbon Triple Bond
Matsuda, Takanori ; et al, Chemistry - A European Journal, 2016, 22(6), 1941-1943

Production Method 4

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate Solvents: Acetonitrile ,  Dichloromethane ;  3 h, -78 °C
Reference
The Coming of Age in Iodane-Guided ortho-C-H Propargylation: From Insight to Synthetic Potential
Izquierdo, Susana ; et al, Chemistry - A European Journal, 2018, 24(58), 15517-15521

1-Bromo-2-iodo-4-methylbenzene Raw materials

1-Bromo-2-iodo-4-methylbenzene Preparation Products

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