Cas no 850568-08-0 (4-Ethoxy-3-methylphenylboronic acid)

4-Ethoxy-3-methylphenylboronic acid structure
850568-08-0 structure
Product Name:4-Ethoxy-3-methylphenylboronic acid
CAS No:850568-08-0
MF:C9H13BO3
MW:180.008723020554
MDL:MFCD06659870
CID:720052
PubChem ID:3343227
Update Time:2024-10-26

4-Ethoxy-3-methylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Ethoxy-3-methylphenylboronic acid
    • 4-Ethoxy-3-methylbenzeneboronic acid
    • (4-ethoxy-3-methylphenyl)boronic acid
    • Boronic acid,B-(4-ethoxy-3-methylphenyl)-
    • (4-ETHOXY-3-METHYL)BENZENEBORONIC ACID
    • (4-ethoxy-3-methyl-phenyl)boronic Acid
    • GAFSYSHEDOIUSI-UHFFFAOYSA-N
    • SBB071095
    • 4-ethoxy-3-methylphenyl boronic acid
    • AB26516
    • VB10264
    • N306
    • BC001220
    • B-(4-Ethoxy-3-methylphenyl)boronic acid (ACI)
    • Boronic acid, (4-ethoxy-3-methylphenyl)- (9CI)
    • 4-Ethoxy-3-methylphenylboronic acid, AldrichCPR
    • DB-028858
    • 850568-08-0
    • DS-14091
    • J-515267
    • EN300-5082057
    • N12104
    • SCHEMBL3659031
    • CS-W017243
    • Z1098335303
    • AKOS004113855
    • DTXSID10391633
    • MDL: MFCD06659870
    • Inchi: 1S/C9H13BO3/c1-3-13-9-5-4-8(10(11)12)6-7(9)2/h4-6,11-12H,3H2,1-2H3
    • InChI Key: GAFSYSHEDOIUSI-UHFFFAOYSA-N
    • SMILES: OB(C1C=C(C)C(OCC)=CC=1)O

Computed Properties

  • Exact Mass: 180.09600
  • Monoisotopic Mass: 180.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 152
  • 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

Experimental Properties

  • Density: 1.11
  • Melting Point: 168-172
  • Boiling Point: 333.1°C at 760 mmHg
  • Flash Point: 155.2°C
  • Refractive Index: 1.515
  • PSA: 49.69000
  • LogP: 0.07350

4-Ethoxy-3-methylphenylboronic acid Security Information

  • Hazard Statement: Irritant/Keep Cold
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:Keep cold

4-Ethoxy-3-methylphenylboronic acid Pricemore >>

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