Cas no 874219-31-5 (4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid)

4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid structure
874219-31-5 structure
Product Name:4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid
CAS No:874219-31-5
MF:C11H13BFNO3
MW:237.035226583481
MDL:MFCD08235050
CID:709635
PubChem ID:44717537
Update Time:2024-10-26

4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid
    • 4-Fluoro-3-(1-pyrrolidinylcarbonyl)benzeneboronic acid
    • (4-Fluoro-3-(pyrrolidine-1-carbonyl)-phenyl)boronic acid
    • [4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
    • 4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid
    • Boronic acid, B-[4-fluoro-3-(1-pyrrolidinylcarbonyl)phenyl]-
    • 4-FLUORO-3-(PYRROLIDIN-1-YLCARBONYL)BENZENEBORONIC ACID
    • 4-Fluoro-3-(1-pyrrolidinylcarbonyl)benzeneboronic acid, 98%
    • 4-Fluoro-3-(pyrrolidin-1-ylcarbonyl)benzeneboronic acid 98%
    • 4-Fluoro-3-(pyrrolidin-1-ylcarbonyl)benzeneboronicacid98%
    • (5-Borono-2-fluorophenyl)carbonylpyrrolidine
    • Boronic acid,B-[4-fluoro-3-(1-pyrrolidinylcarbonyl)phenyl]-
    • 4-Fluoro-3-(pyrrolidine-1-carbonyl)benzeneboronic acid, 98%
    • DTXSID50660219
    • I12397
    • CS-0174803
    • 4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronic acid
    • AKOS015853301
    • 874219-31-5
    • 4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid, AldrichCPR
    • BS-24136
    • (4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl)boronicacid
    • MFCD08235050
    • MDL： MFCD08235050
    • Inchi： 1S/C11H13BFNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
    • InChI Key： AOICJNUBSAKHMW-UHFFFAOYSA-N
    • SMILES： B(C1=CC=C(F)C(C(N2CCCC2)=O)=C1)(O)O

Computed Properties

  • Exact Mass: 237.09700
  • Monoisotopic Mass: 237.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 284
  • 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: 60.8A^2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.32
  • Melting Point: 152-154
  • Boiling Point: 462.0±55.0 °C at 760 mmHg
  • Flash Point: 233.2±31.5 °C
  • Refractive Index: 1.569
  • PSA: 60.77000
  • LogP: -0.32060
  • pka: 8.04±0.10(Predicted)

4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid Security Information

4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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