Cas no 871125-81-4 ([3-bromo-5-(propan-2-yloxy)phenyl]boronic acid)

[3-bromo-5-(propan-2-yloxy)phenyl]boronic acid structure
871125-81-4 structure
Product Name:[3-bromo-5-(propan-2-yloxy)phenyl]boronic acid
CAS No:871125-81-4
MF:C9H12BBrO3
MW:258.904782295227
MDL:MFCD07784398
CID:719244
PubChem ID:24884308
Update Time:2024-10-26

[3-bromo-5-(propan-2-yloxy)phenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Bromo-5-isopropoxyphenyl)boronic acid
    • (3-bromo-5-propan-2-yloxyphenyl)boronic acid
    • 3-Bromo-5-isopropoxyphenylboronic acid
    • Boronic acid,B-[3-bromo-5-(1-methylethoxy)phenyl]-
    • FCH1386024
    • BC001540
    • OR360286
    • AX8217970
    • ST24034329
    • X2580
    • {3-Bromo-5-[(propan-2-yl)oxy]phenyl}boronic acid
    • [3-BROMO-5-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID
    • B-[3-Bromo-5-(1-methylethoxy)phenyl]boronic acid (ACI)
    • Boronic acid, [3-bromo-5-(1-methylethoxy)phenyl]- (9CI)
    • CS-0041367
    • BP-12154
    • WJB12581
    • 871125-81-4
    • AKOS015834201
    • DTXSID50584729
    • MFCD07784398
    • (3-Bromo-5-isopropoxyphenyl)boronicacid
    • DS-14901
    • (3-Bromo-5-isopropoxy-phenyl)boronic acid
    • I12050
    • [3-bromo-5-(propan-2-yloxy)phenyl]boronic acid
    • MDL： MFCD07784398
    • Inchi： 1S/C9H12BBrO3/c1-6(2)14-9-4-7(10(12)13)3-8(11)5-9/h3-6,12-13H,1-2H3
    • InChI Key： OYCQIPZXNTZLQQ-UHFFFAOYSA-N
    • SMILES： BrC1C=C(B(O)O)C=C(OC(C)C)C=1

Computed Properties

  • Exact Mass: 258.00600
  • Monoisotopic Mass: 258.00629g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 49.7

Experimental Properties

  • Melting Point: 140-145?°C
  • PSA: 49.69000
  • LogP: 0.91610

[3-bromo-5-(propan-2-yloxy)phenyl]boronic acid Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3

[3-bromo-5-(propan-2-yloxy)phenyl]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%

[3-bromo-5-(propan-2-yloxy)phenyl]boronic acid Pricemore >>

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