Cas no 871126-27-1 (3-Bromo-5-propoxyphenylboronic acid)

3-Bromo-5-propoxyphenylboronic acid structure
871126-27-1 structure
Product Name:3-Bromo-5-propoxyphenylboronic acid
CAS No:871126-27-1
MF:C9H12BBrO3
MW:258.904782295227
MDL:MFCD07784394
CID:719258
PubChem ID:24884294
Update Time:2025-10-28

3-Bromo-5-propoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Bromo-5-propoxyphenyl)boronic acid
    • 3-Bromo-5-propoxyphenylboronic acid
    • Boronic acid,B-(3-bromo-5-propoxyphenyl)-
    • BS-23072
    • 3-Bromo-5-propoxyphenylboronic acid(contains unquantified anhydride)
    • (3-Bromo-5-propoxyphenyl)boronicacid
    • DTXSID50584724
    • E90099
    • AKOS015834235
    • MFCD07784394
    • WJB12627
    • 871126-27-1
    • CS-0174359
    • BP-11410
    • MDL: MFCD07784394
    • Inchi: 1S/C9H12BBrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3
    • InChI Key: OHFYAFQVSGUNME-UHFFFAOYSA-N
    • SMILES: BrC1C=C(B(O)O)C=C(C=1)OCCC

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: 4
  • Complexity: 168
  • 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?2

Experimental Properties

  • Density: 1.47
  • Melting Point: 159-164?°C
  • Boiling Point: 385.5°C at 760 mmHg
  • Flash Point: 186.9°C
  • Refractive Index: 1.558
  • PSA: 49.69000
  • LogP: 0.91770

3-Bromo-5-propoxyphenylboronic acid Security Information

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

3-Bromo-5-propoxyphenylboronic 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-propoxyphenylboronic acid Pricemore >>

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