Cas no 121554-18-5 ((4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid)

(4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid structure
121554-18-5 structure
Product Name:(4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid
CAS No:121554-18-5
MF:C17H21BO2
MW:268.158445119858
MDL:MFCD07644474
CID:830207
PubChem ID:15458089
Update Time:2025-04-19

(4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4'-Pentyl-[1,1'-biphenyl]-4-yl)boronic acid
    • (4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid
    • (4'-PENTYL[1,1'-BIPHENYL]-4-YL)-BORONIC ACID
    • 4'-pentyl-1,1'-(biphenyl)boronic acid
    • 4'-pentyl-4-biphenylboronic acid
    • 4'-pentylbiphenyl-4-boronic acid
    • 4-pentylbiphenyl-4'-yl boronic acid
    • Boronic acid,(4'-pentyl[1,1'-biphenyl]-4-yl)
    • 4-(4-Pentylphenyl)benzeneboronic Acid (contains varying amounts of Anhydride)
    • (4'-Pentyl-[1,1'-biphenyl]-4-yl)
    • [4-(4-pentylphenyl)phenyl]boronic Acid
    • Boronic acid, (4'-pentyl[1,1'-biphenyl]-4-yl)-
    • 4-(4-Pentylphenyl)benzeneboronic acid
    • QRZCEXCQSFQDMG-UHFFFAOYSA-N
    • 4'-Pentyl-4-biphenylylboronic acid
    • (4/'-Pentyl[1,1/'-biphenyl]-4-yl)-boronic acid
    • P2717
    • MFCD07644474
    • DTXSID80572952
    • {4'-pentyl-[1,1'-biphenyl]-4-yl}boronic acid
    • SCHEMBL1791067
    • SB66908
    • 121554-18-5
    • 4'-PENTYL-[1,1'-BIPHENYL]-4-YLBORONIC ACID
    • CS-0152315
    • WEA55418
    • 4-(4-pentylphenyl)benzeneboronicacid
    • AS-20103
    • AKOS005146023
    • O10113
    • Boronic acid, B-(4'-pentyl[1,1'-biphenyl]-4-yl)-
    • MDL: MFCD07644474
    • Inchi: 1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3
    • InChI Key: QRZCEXCQSFQDMG-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)C1C=CC(=CC=1)CCCCC)O

Computed Properties

  • Exact Mass: 268.16300
  • Monoisotopic Mass: 268.1634601g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 254
  • 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

  • Color/Form: No data available
  • Density: 1.08±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 436.4°C at 760 mmHg
  • Flash Point: 217.8±29.6 °C
  • Solubility: Insuluble (3.5E-3 g/L) (25 oC),
  • PSA: 40.46000
  • LogP: 2.76610

(4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid Security Information

(4'-Pentyl[1,1'-biphenyl]-4-yl)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%

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(4'-Pentyl[1,1'-biphenyl]-4-yl)boronic acid Production Method

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