Cas no 849062-39-1 (3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid)

3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid structure
849062-39-1 structure
Product Name:3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid
CAS No:849062-39-1
MF:C13H11BClFO3
MW:280.487046480179
MDL:MFCD06411358
CID:716706
PubChem ID:24882682
Update Time:2025-04-19

3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Chloro-4-((4-fluorobenzyl)oxy)phenyl)boronic acid
    • 3-CHLORO-4-(4'-FLUOROBENZYLOXY)PHENYLBORONIC ACID
    • 3-Chloro-4-(4-fluorobenzyloxy)phenylboronic acid
    • Boronic acid,B-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-
    • BP-12129
    • D86514
    • B-[3-Chloro-4-[(4-fluorophenyl)methoxy]phenyl]-Boronic acid
    • 849062-39-1
    • CS-0178597
    • B-[3-Chloro-4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
    • 3-CHLORO-4-[(4-FLUOROPHENYL)METHOXY]PHENYLBORONIC ACID
    • 3-Chloro-4-(4''-fluorobenzyloxy)phenylboronic Acid
    • MFCD06411358
    • (3-CHLORO-4-((4-FLUOROBENZYL)OXY)PHENYL)BORONICACID
    • SCHEMBL12260343
    • DB-400502
    • BS-23091
    • 3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid(contains varying amounts of Anhydride)
    • DTXSID60584492
    • {3-Chloro-4-[(4-fluorophenyl)methoxy]phenyl}boronic acid
    • [3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
    • AB25262
    • 3-CHLORO-4-(4'-FLUOROBENZYLOXY)PHENYLBO&
    • AKOS015888506
    • 3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid
    • MDL: MFCD06411358
    • Inchi: 1S/C13H11BClFO3/c15-12-7-10(14(17)18)3-6-13(12)19-8-9-1-4-11(16)5-2-9/h1-7,17-18H,8H2
    • InChI Key: GLLLLVYDIZNTKE-UHFFFAOYSA-N
    • SMILES: ClC1C=C(B(O)O)C=CC=1OCC1C=CC(=CC=1)F

Computed Properties

  • Exact Mass: 280.0473802g/mol
  • Monoisotopic Mass: 280.0473802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 275
  • 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: 1.36
  • Melting Point: 181-186?°C (lit.)
  • Boiling Point: 454.2°C at 760 mmHg
  • Flash Point: 228.5°C
  • Refractive Index: 1.59
  • PSA: 49.69000
  • LogP: 1.73790

3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • 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

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