Cas no 855836-62-3 (2-Bromo-3-chlorophenol)

2-Bromo-3-chlorophenol structure
2-Bromo-3-chlorophenol structure
Product Name:2-Bromo-3-chlorophenol
CAS No:855836-62-3
MF:C6H4BrClO
MW:207.452360153198
MDL:MFCD04037216
CID:717450
PubChem ID:12175703
Update Time:2024-10-26

2-Bromo-3-chlorophenol Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-3-chlorophenol
    • Phenol,2-bromo-3-chloro-
    • Phenol, 2-bromo-3-chloro-
    • Chlorbromphenole
    • PubChem17551
    • 2-Bromo-3-chloro-phenol
    • STL557545
    • BBL103735
    • CL8459
    • KM2334
    • MB03079
    • AM82954
    • SY059277
    • V8116
    • ST24040081
    • 2-Bromo-3-chlorophenol (ACI)
    • MFCD04037216
    • EN300-624354
    • DS-15861
    • DTXCID80430063
    • DTXSID60479253
    • AKOS015891407
    • CS-W007088
    • SCHEMBL263539
    • 855836-62-3
    • MDL： MFCD04037216
    • Inchi： 1S/C6H4BrClO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H
    • InChI Key： SJFAAIBDKRBLMN-UHFFFAOYSA-N
    • SMILES： ClC1C(Br)=C(O)C=CC=1

Computed Properties

  • Exact Mass: 205.91300
  • Monoisotopic Mass: 205.91341g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • 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
  • XLogP3: 2.9

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.8±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 233.1±20.0 °C at 760 mmHg
  • Flash Point: 94.7±21.8 °C
  • PSA: 20.23000
  • LogP: 2.80810
  • Vapor Pressure: No data available

2-Bromo-3-chlorophenol Security Information

2-Bromo-3-chlorophenol Customs Data

  • HS CODE：2908199090
  • Customs Data：

    China Customs Code:

    2908199090

    Overview:

    HS:2908199090 Derivatives of other phenols and phenolic alcohols containing only halogen substituents and their salts 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:

    HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

2-Bromo-3-chlorophenol Pricemore >>

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2-Bromo-3-chlorophenol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C; 1 h, -78 °C
1.2 Reagents: Water-d2
1.3 Reagents: Bromine ;  -78 °C; 1 h, -78 °C; 2 h, -78 °C → rt
1.4 Reagents: Ammonium chloride Solvents: Water
2.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  0 °C; 16 h, 0 °C → rt
Reference
An Enantioselective Suzuki-Miyaura Coupling To Form Axially Chiral Biphenols
Pearce-Higgins, Robert; et al, Journal of the American Chemical Society, 2022, 144(33), 15026-15032

Production Method 2

Reaction Conditions
1.1 Reagents: Carbon tetrachloride ,  Bromine Solvents: Methanol ;  5 h, rt
Reference
Regioselective monobromination of substituted phenols in the presence of β-cyclodextrin
Suresh, Palaniswamy; et al, Tetrahedron, 2007, 63(23), 4959-4967

Production Method 3

Reaction Conditions
1.1 Reagents: β-Cyclodextrin ,  Bromine Solvents: Carbon tetrachloride ;  2 h, rt
Reference
Regioselective monobromination of substituted phenols in the presence of β-cyclodextrin
Suresh, Palaniswamy; et al, Tetrahedron, 2007, 63(23), 4959-4967

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  6.5 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  neutralized, rt
Reference
A New and Efficient Synthesis of 4-Functionalized Benzo[b]furans from 2,3-Dihalophenols
Sanz, Roberto; et al, Journal of Organic Chemistry, 2005, 70(16), 6548-6551

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  0 °C; 16 h, 0 °C → rt
Reference
An Enantioselective Suzuki-Miyaura Coupling To Form Axially Chiral Biphenols
Pearce-Higgins, Robert; et al, Journal of the American Chemical Society, 2022, 144(33), 15026-15032

Production Method 6

Reaction Conditions
1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine ,  sec-Butyllithium Solvents: Hexane ,  Cyclohexane ;  2 h, -78 °C
1.2 30 min, -78 °C; -78 °C → rt
1.3 Reagents: Water ;  rt
2.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  6.5 h, reflux
2.2 Reagents: Hydrochloric acid Solvents: Water ;  neutralized, rt
Reference
A New and Efficient Synthesis of 4-Functionalized Benzo[b]furans from 2,3-Dihalophenols
Sanz, Roberto; et al, Journal of Organic Chemistry, 2005, 70(16), 6548-6551

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  0 °C; 30 min, rt; rt → 0 °C
1.2 Solvents: Toluene ;  0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water
2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C; 1 h, -78 °C
2.2 Reagents: Water-d2
2.3 Reagents: Bromine ;  -78 °C; 1 h, -78 °C; 2 h, -78 °C → rt
2.4 Reagents: Ammonium chloride Solvents: Water
3.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  0 °C; 16 h, 0 °C → rt
Reference
An Enantioselective Suzuki-Miyaura Coupling To Form Axially Chiral Biphenols
Pearce-Higgins, Robert; et al, Journal of the American Chemical Society, 2022, 144(33), 15026-15032

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  rt; 2 h, rt
1.2 Solvents: Tetrahydrofuran ;  8 h, rt
2.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine ,  sec-Butyllithium Solvents: Hexane ,  Cyclohexane ;  2 h, -78 °C
2.2 30 min, -78 °C; -78 °C → rt
2.3 Reagents: Water ;  rt
3.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  6.5 h, reflux
3.2 Reagents: Hydrochloric acid Solvents: Water ;  neutralized, rt
Reference
A New and Efficient Synthesis of 4-Functionalized Benzo[b]furans from 2,3-Dihalophenols
Sanz, Roberto; et al, Journal of Organic Chemistry, 2005, 70(16), 6548-6551

2-Bromo-3-chlorophenol Raw materials

2-Bromo-3-chlorophenol Preparation Products

2-Bromo-3-chlorophenol Related Literature

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