Cas no 871329-51-0 (3-Amino-5-nitrophenylboronic acid, pinacol ester)

3-Amino-5-nitrophenylboronic acid, pinacol ester structure
871329-51-0 structure
Product Name:3-Amino-5-nitrophenylboronic acid, pinacol ester
CAS No:871329-51-0
MF:C12H17BN2O4
MW:264.085383176804
MDL:MFCD07363740
CID:719753
PubChem ID:44119652
Update Time:2025-04-19

3-Amino-5-nitrophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • 3-Amino-5-Nitrobenzeneboronic Acid Pinacol Ester
    • 3-Amino-5-nitrophenylboronic acid, pinacol ester
    • 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
    • Benzenamine,3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • FT-0644975
    • AKOS016001351
    • AT16843
    • DS-14370
    • CS-0174312
    • 871329-51-0
    • AB30663
    • SCHEMBL2496856
    • MFCD07363740
    • DTXSID00657356
    • 3-Amino-5-nitrophenylboronic acid pinacol ester
    • MDL: MFCD07363740
    • Inchi: 1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-9(14)7-10(6-8)15(16)17/h5-7H,14H2,1-4H3
    • InChI Key: KLYYWEHPIHBBHC-UHFFFAOYSA-N
    • SMILES: O1B(C2C=C(C=C(C=2)[N+](=O)[O-])N)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 264.12800
  • Monoisotopic Mass: 264.128
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 353
  • 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: 90.3A^2

Experimental Properties

  • Density: 1.2
  • Boiling Point: 428.5°C at 760 mmHg
  • Flash Point: 213°C
  • Refractive Index: 1.54
  • PSA: 90.30000
  • LogP: 2.58060

3-Amino-5-nitrophenylboronic acid, pinacol ester Security Information

  • Hazard Statement: Irritant/Keep Cold
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep cold

3-Amino-5-nitrophenylboronic 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-Amino-5-nitrophenylboronic acid, pinacol ester Pricemore >>

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