Cas no 957120-61-5 (5-Bromo-2-fluoro-3-methylphenylboronic acid)

5-Bromo-2-fluoro-3-methylphenylboronic acid structure
957120-61-5 structure
Product Name:5-Bromo-2-fluoro-3-methylphenylboronic acid
CAS No:957120-61-5
MF:C7H7BBrFO2
MW:232.842684984207
MDL:MFCD09800868
CID:69684
PubChem ID:44558191
Update Time:2024-10-25

5-Bromo-2-fluoro-3-methylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (5-Bromo-2-fluoro-3-methylphenyl)boronic acid
    • 2-Fluoro-3-methyl-5-bromophenylboronic acid
    • 5-Bromo-2-fluoro-3-methylphenylboronic acid
    • (5-bromo-2-fluoro-3-methyl-phenyl)boronic acid
    • 5-bromo-2-fluoro-3-methylbenzeneboronic acid
    • VLFDXHTXMHURJH-UHFFFAOYSA-N
    • SBB071274
    • PC8046
    • VB10099
    • FCH1323689
    • BC001291
    • AX8196764
    • AB0043285
    • Z
    • B-(5-Bromo-2-fluoro-3-methylphenyl)boronic acid (ACI)
    • MFCD09800868
    • DTXSID90659400
    • (5-Bromo-2-fluoro-3-methylphenyl)boronicacid
    • AS-66539
    • AKOS015834371
    • 957120-61-5
    • SCHEMBL1826766
    • N12156
    • CS-0047542
    • J-516923
    • DB-029079
    • MDL: MFCD09800868
    • Inchi: 1S/C7H7BBrFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,11-12H,1H3
    • InChI Key: VLFDXHTXMHURJH-UHFFFAOYSA-N
    • SMILES: FC1C(C)=CC(Br)=CC=1B(O)O

Computed Properties

  • Exact Mass: 231.97100
  • Monoisotopic Mass: 231.971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 158
  • 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: 40.5

Experimental Properties

  • Density: 1.65
  • Boiling Point: 345.8°C at 760 mmHg
  • Flash Point: 162.9°C
  • Refractive Index: 1.562
  • PSA: 40.46000
  • LogP: 0.57640

5-Bromo-2-fluoro-3-methylphenylboronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

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5-Bromo-2-fluoro-3-methylphenylboronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium ,  Diisopropylethylamine Solvents: Tetrahydrofuran ,  Cyclohexane ;  0 °C; 0 °C → -65 °C; 2 h, -65 °C
1.2 Reagents: Trimethyl borate Solvents: Tetrahydrofuran ;  -65 °C; 3 h, -65 °C
Reference
Preparation method of 4-fluoro-3-methoxy-5-methylaniline hydrochloride
, World Intellectual Property Organization, , ,

5-Bromo-2-fluoro-3-methylphenylboronic acid Raw materials

5-Bromo-2-fluoro-3-methylphenylboronic acid Preparation Products

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