Cas no 461451-63-8 (5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)

5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile structure
461451-63-8 structure
Product Name:5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No:461451-63-8
MF:C13H15BFNO2
MW:247.073107004166
MDL:MFCD09260444
CID:324756
PubChem ID:22180790
Update Time:2025-04-19

5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • 2-CYANO-4-FLUOROBENZENEBORONIC ACID PINACOL ESTER
    • 2-Cyano-4-fluorophenylboronic acid pinacol ester
    • Benzonitrile, 5- fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • IMEIHRCZDURBEC-UHFFFAOYSA-N
    • SBB100209
    • PC7020
    • AB49977
    • FCH2717672
    • SY059455
    • AX82362
    • 461451-63-8
    • 5-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile
    • AKOS016005499
    • Z1848896014
    • (2-CYANO-4-FLUOROPHENYL)BORONIC ACID PINACOL ESTER
    • 2-CYANO-4-FLUOROPHENYLBORONICACIDPINACOLESTER
    • FT-0698433
    • EN300-179765
    • MFCD09260444
    • CS-0089463
    • A826994
    • DTXSID00623314
    • SCHEMBL2650777
    • AS-72356
    • 5-Fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
    • 2-Cyano-4-fluorobenzeneboronic acid, pinacol ester
    • 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 2-(2-Cyano-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • MDL: MFCD09260444
    • Inchi: 1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(15)7-9(11)8-16/h5-7H,1-4H3
    • InChI Key: IMEIHRCZDURBEC-UHFFFAOYSA-N
    • SMILES: FC1C=CC(B2OC(C)(C)C(C)(C)O2)=C(C#N)C=1

Computed Properties

  • Exact Mass: 247.11800
  • Monoisotopic Mass: 247.118
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 360
  • 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: 42.2

Experimental Properties

  • PSA: 42.25000
  • LogP: 1.99658

5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>

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5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method

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