Cas no 1218790-61-4 (3,5-Dichloro-4-propoxyphenylboronic acid)

3,5-Dichloro-4-propoxyphenylboronic acid is a boronic acid derivative commonly employed as a versatile intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its structure, featuring electron-withdrawing chloro groups and a propoxy substituent, enhances reactivity and selectivity in forming carbon-carbon bonds. This compound is valued for its stability under typical reaction conditions and its compatibility with a wide range of aryl halides, making it useful in pharmaceutical and agrochemical research. The dichloro and propoxy functional groups also contribute to its utility in designing complex molecules with tailored electronic and steric properties. Proper handling under inert conditions is recommended to preserve its integrity.
3,5-Dichloro-4-propoxyphenylboronic acid structure
1218790-61-4 structure
Product Name:3,5-Dichloro-4-propoxyphenylboronic acid
CAS No:1218790-61-4
MF:C9H11BCl2O3
MW:248.898841142654
MDL:MFCD15143465
CID:829220
PubChem ID:53216365
Update Time:2025-06-07

3,5-Dichloro-4-propoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3,5-Dichloro-4-propoxyphenyl)boronic acid
    • 3,5-Dichloro-4-propoxyphenylboronic acid
    • CS-0175965
    • Boronic acid, B-(3,5-dichloro-4-propoxyphenyl)-
    • 1218790-61-4
    • DB-353358
    • DTXSID30681609
    • AKOS015848877
    • MFCD15143465
    • (3,5-Dichloro-4-propoxyphenyl)boronicacid
    • D71619
    • BS-21183
    • MDL: MFCD15143465
    • Inchi: 1S/C9H11BCl2O3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5,13-14H,2-3H2,1H3
    • InChI Key: GXOBEFMWCPTAAN-UHFFFAOYSA-N
    • SMILES: ClC1C=C(B(O)O)C=C(C=1OCCC)Cl

Computed Properties

  • Exact Mass: 248.01800
  • Monoisotopic Mass: 248.0178298g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 182
  • 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: 1.3±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 397.1±52.0 °C at 760 mmHg
  • Flash Point: 193.9±30.7 °C
  • PSA: 49.69000
  • LogP: 1.46200
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3,5-Dichloro-4-propoxyphenylboronic acid Security Information

3,5-Dichloro-4-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%

3,5-Dichloro-4-propoxyphenylboronic acid Pricemore >>

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