Cas no 850568-01-3 ((2-(Bromomethyl)-4-fluorophenyl)boronic acid)

(2-(Bromomethyl)-4-fluorophenyl)boronic acid structure
850568-01-3 structure
Product Name:(2-(Bromomethyl)-4-fluorophenyl)boronic acid
CAS No:850568-01-3
MF:C7H7BBrFO2
MW:232.842684984207
MDL:MFCD06659867
CID:716955
PubChem ID:44717311
Update Time:2024-10-26

(2-(Bromomethyl)-4-fluorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-(Bromomethyl)-4-fluorophenyl)boronic acid
    • 2-Bromomethyl-4-fluorobenzeneboronic acid
    • (2-BROMOMETHYL-4-FLUOROBENZENE)BORONIC ACID
    • [2-(bromomethyl)-4-fluorophenyl]boronic acid
    • [2-(bromomethyl)-4-fluoro-phenyl]boronic acid
    • 2-Bromomethyl-4-fluorophenylboronic acid
    • Boronic acid,B-[2-(bromomethyl)-4-fluorophenyl]-
    • PC1643
    • B-[2-(Bromomethyl)-4-fluorophenyl]boronic acid (ACI)
    • Boronic acid, [2-(bromomethyl)-4-fluorophenyl]- (9CI)
    • 2-Bromomethyl-4-fluorophenylboronicacid
    • 2-(BROMOMETHYL)-4-FLUOROBENZENEBORONICACID
    • 2-(Bromomethyl)-4-fluorobenzeneboronic acid
    • 850568-01-3
    • CS-W000983
    • PS-9558
    • (2-(Bromomethyl)-4-fluorophenyl)boronicacid
    • MFCD06659867
    • 2-(bromomethyl)-4-fluorophenylboronic acid
    • DTXSID00660143
    • AKOS015836006
    • AB26507
    • 2-BORONO-5-FLUOROBENZYL BROMIDE
    • N12199
    • MDL: MFCD06659867
    • Inchi: 1S/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2
    • InChI Key: SAHGEZUSQVBFDM-UHFFFAOYSA-N
    • SMILES: FC1C=C(CBr)C(B(O)O)=CC=1

Computed Properties

  • Exact Mass: 231.97100
  • Monoisotopic Mass: 231.971
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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: 40.5A^2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Melting Point: 169-171
  • Boiling Point: 343.1±52.0 °C at 760 mmHg
  • Flash Point: 161.3±30.7 °C
  • Refractive Index: 1.559
  • PSA: 40.46000
  • LogP: 0.40040
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

(2-(Bromomethyl)-4-fluorophenyl)boronic acid Security Information

(2-(Bromomethyl)-4-fluorophenyl)boronic 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%

(2-(Bromomethyl)-4-fluorophenyl)boronic acid Pricemore >>

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(2-(Bromomethyl)-4-fluorophenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Bromine Solvents: Carbon tetrachloride ;  60 min, reflux; 60 min, reflux
Reference
Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via 19F NMR Barcodes
Axthelm, Joerg; Goerls, Helmar; Schubert, Ulrich S.; Schiller, Alexander, Journal of the American Chemical Society, 2015, 137(49), 15402-15405

(2-(Bromomethyl)-4-fluorophenyl)boronic acid Raw materials

(2-(Bromomethyl)-4-fluorophenyl)boronic acid Preparation Products

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