Cas no 849062-41-5 (3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid)

3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid structure
849062-41-5 structure
Product Name:3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid
CAS No:849062-41-5
MF:C14H13BBrFO3
MW:338.964627027512
MDL:MFCD06411360
CID:716708
PubChem ID:24882685
Update Time:2024-10-26

3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Bromo-2-((4-fluorobenzyl)oxy)-5-methylphenyl)boronic acid
    • 3-BROMO-2-(4'-FLUOROBENZYLOXY)-5-METHYLPHENYLBORONIC ACID
    • 3-Bromo-2-(4-fluorobenzyloxy)-5-methylphenylboronic acid
    • Boronic acid,B-[3-bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-
    • Boronic acid, B-[3-bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-
    • MFCD06411360
    • [3-bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
    • {3-Bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl}boronic acid
    • BS-23051
    • F77434
    • DTXSID40584495
    • (3-BROMO-2-((4-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONICACID
    • CS-0178092
    • 3-Bromo-2-(4''-fluorobenzyloxy)-5-methylphenylboronic Acid
    • AB25266
    • 3-BROMO-2-(4'-FLUOROBENZYLOXY)-5-METHYL&
    • SCHEMBL9893587
    • B-[3-Bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-Boronic acid
    • AKOS015888500
    • 3-BROMO-2-[(4-FLUOROPHENYL)METHOXY]-5-METHYLPHENYLBORONIC ACID
    • 849062-41-5
    • 3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid
    • MDL： MFCD06411360
    • Inchi： 1S/C14H13BBrFO3/c1-9-6-12(15(18)19)14(13(16)7-9)20-8-10-2-4-11(17)5-3-10/h2-7,18-19H,8H2,1H3
    • InChI Key： PMGXFVHJKMZADN-UHFFFAOYSA-N
    • SMILES： B(C1=CC(C)=CC(Br)=C1OCC1=CC=C(F)C=C1)(O)O

Computed Properties

  • Exact Mass: 338.01300
  • Monoisotopic Mass: 338.01252g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 300
  • 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

  • Color/Form: No data available
  • Density: 1.5±0.1 g/cm3
  • Melting Point: 128-133?°C (lit.)
  • Boiling Point: 494.4±55.0 °C at 760 mmHg
  • Flash Point: 252.8±31.5 °C
  • Refractive Index: 1.605
  • PSA: 49.69000
  • LogP: 2.15540
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335-H413
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic 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-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid Pricemore >>

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