Cas no 396131-82-1 (3-Cyanomethylphenylboronic acid, pinacol ester)

3-Cyanomethylphenylboronic acid, pinacol ester structure
396131-82-1 structure
Product Name:3-Cyanomethylphenylboronic acid, pinacol ester
CAS No:396131-82-1
MF:C14H18BNO2
MW:243.109223842621
MDL:MFCD02179458
CID:304547
PubChem ID:2773343
Update Time:2025-04-19

3-Cyanomethylphenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
    • 3-(Cyanomethyl)Benzeneboronic Acid Pinacol Ester
    • (3-Cyanomethyl)phenylboronic acid pinacol ester
    • 3-Cyanomethylphenylboronic acid, pinacol ester
    • Benzeneacetonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
    • 3-(Cyanomethyl)phenylboronic acid,pinacol ester
    • [3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
    • (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
    • 3-(Cyanomethyl)phenylboronic acid, pinacol ester, AldrichCPR
    • AKOS015950758
    • EN300-1852139
    • J-505704
    • AB11170
    • CS-0174450
    • SY025015
    • MFCD02179458
    • (3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
    • FT-0644572
    • 396131-82-1
    • 3-(Cyanomethyl)phenylboronic acid pinacol ester
    • 3-(cyanomethyl)benzeneboronic acid pinacol ester, AldrichCPR
    • 2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
    • (3-(CYANOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER
    • SCHEMBL762075
    • A824649
    • DTXSID40378391
    • BS-32392
    • LIWPKYSGWSFPEE-UHFFFAOYSA-N
    • 1-Cyanomethylbenzene-3-boronic Acid Pinacol Ester
    • BENZENEACETONITRILE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
    • MDL： MFCD02179458
    • Inchi： 1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3
    • InChI Key： LIWPKYSGWSFPEE-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC=C(CC#N)C=2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 243.14300
  • Monoisotopic Mass: 243.1430590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 342
  • 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?2

Experimental Properties

  • Melting Point: 44-48°C
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 42.25000
  • LogP: 2.05188

3-Cyanomethylphenylboronic acid, pinacol ester Security Information

  • Hazard Statement： Irritant
  • Hazardous Material transportation number：UN 3439
  • WGK Germany：3
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： Xi
  • Risk Phrases：R20/21/22

3-Cyanomethylphenylboronic acid, pinacol ester 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%

3-Cyanomethylphenylboronic acid, pinacol ester Pricemore >>

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