Cas no 16538-46-8 (2-(cyanomethyl)phenylboronic acid)

2-(cyanomethyl)phenylboronic acid structure
16538-46-8 structure
Product Name:2-(cyanomethyl)phenylboronic acid
CAS No:16538-46-8
MF:C8H8BNO2
MW:160.965621948242
MDL:MFCD10696642
CID:2658500
PubChem ID:55263310
Update Time:2025-04-21

2-(cyanomethyl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • [2-(cyanomethyl)phenyl]boronic acid
    • (2-cyanomethyl-phenyl)-boronic acid
    • (2-dihydroxyboranyl-phenyl)-acetonitrile
    • 2-[2-(DIHYDROXYBORANYL)PHENYL]ACETONITRILE
    • o-Cyanmethyl-benzolboronsaeure
    • o-cyanomethylphenyl dihydroxyborane
    • o-Cyanomethylphenyl-dihydroxyboran
    • 2-(cyanomethyl)phenylboronic acid
    • starbld0017957
    • SCHEMBL2340536
    • 2-(Cyanomethyl)benzeneboronic acid
    • EN300-212496
    • AB57825
    • AKOS006304110
    • 16538-46-8
    • MDL: MFCD10696642
    • Inchi: 1S/C8H8BNO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,11-12H,5H2
    • InChI Key: GNWXFAMBRLCXFK-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC=CC=1CC#N)O

Computed Properties

  • Exact Mass: 161.06500
  • Monoisotopic Mass: 161.0648087Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: 64.3?2

Experimental Properties

  • PSA: 64.25000
  • LogP: -0.56752

2-(cyanomethyl)phenylboronic 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-(cyanomethyl)phenylboronic acid Pricemore >>

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