Cas no 849052-16-0 (3-Bromo-2-(3'-bromobenzyloxy)-5-methylphenylboronic acid)

3-Bromo-2-(3'-bromobenzyloxy)-5-methylphenylboronic acid structure
849052-16-0 structure
Product Name:3-Bromo-2-(3'-bromobenzyloxy)-5-methylphenylboronic acid
CAS No:849052-16-0
MF:C14H13BBr2O3
MW:399.870222806931
MDL:MFCD06411363
CID:716654
PubChem ID:24882688
Update Time:2024-10-26

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

Names and Identifiers

    • (3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronic acid
    • 3-BROMO-2-(3'-BROMOBENZYLOXY)-5-METHYLPHENYLBORONIC ACID
    • 3-Bromo-2-(3-bromobenzyloxy)-5-methylphenylboronic acid
    • Boronic acid,B-[3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]-
    • Boronic acid, B-[3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]-
    • 3-bromo-2-[(3-bromophenyl)methoxy]-5-methyl-phenyl]boronic acid
    • 3-BROMO-2-[(3-BROMOPHENYL)METHOXY]-5-METHYLPHENYLBORONIC ACID
    • MFCD06411363
    • AKOS015888501
    • [3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]boronic acid
    • ZIB05216
    • (3-Bromo-2-((3-bromobenzyl)oxy)-5-methylphenyl)boronicacid
    • 3-BROMO-2-(3'-BROMOBENZYLOXY)-5-METHYLP&
    • 3-Bromo-2-(3''-bromobenzyloxy)-5-methylphenylboronic Acid
    • 849052-16-0
    • AB25274
    • DTXSID20584498
    • {3-Bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl}boronic acid
    • SCHEMBL9893695
    • C14H13BBr2O3
    • BS-22496
    • CS-0175790
    • 3-Bromo-2-(3'-bromobenzyloxy)-5-methylphenylboronic acid
    • MDL： MFCD06411363
    • Inchi： 1S/C14H13BBr2O3/c1-9-5-12(15(18)19)14(13(17)6-9)20-8-10-3-2-4-11(16)7-10/h2-7,18-19H,8H2,1H3
    • InChI Key： VWXCNKUTFMOYDY-UHFFFAOYSA-N
    • SMILES： B(C1=CC(C)=CC(Br)=C1OCC1=CC=CC(Br)=C1)(O)O

Computed Properties

  • Exact Mass: 399.93040g/mol
  • Monoisotopic Mass: 397.93245g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 306
  • 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: 1.72
  • Melting Point: 109-113?°C (lit.)
  • Boiling Point: 537.9°C at 760 mmHg
  • Flash Point: 279.1°C
  • Refractive Index: 1.65
  • PSA: 49.69000
  • LogP: 2.77880
  • Vapor Pressure: Not available
  • pka: 7.66±0.53(Predicted)

3-Bromo-2-(3'-bromobenzyloxy)-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： 26-36
  • Hazardous Material Identification： Xi
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-Bromo-2-(3'-bromobenzyloxy)-5-methylphenylboronic acid Customs Data

  • HS CODE：2931900090

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

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