Cas no 389621-79-8 (3-Amino-5-nitrophenylboronic Acid, Hydrochloride)

3-Amino-5-nitrophenylboronic Acid, Hydrochloride structure
389621-79-8 structure
Product Name:3-Amino-5-nitrophenylboronic Acid, Hydrochloride
CAS No:389621-79-8
MF:C6H8BClN2O4
MW:218.402720451355
MDL:MFCD03411933
CID:304302
PubChem ID:16427089
Update Time:2025-11-06

3-Amino-5-nitrophenylboronic Acid, Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (3-Amino-5-nitrophenyl)boronic acid hydrochloride
    • 3-Amino-5-nitrobenzeneboronic acid hydrochloride
    • 3-Amino-5-nitrophenylboronic acid, HCl
    • Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI)
    • (3-AMINO-5-NITROPHENYL)BORONIC ACID HYDROCHLORIDE SALT
    • (3-AMINO-5-NITROPHENYL)BORONIC ACID HCL SALT
    • BS-27978
    • (3-amino-5-nitrophenyl)boronicacidhydrochloride
    • 3-Amino-5-nitrophenylboronic acid hydrochloride
    • (3-Amino-5-nitrophenyl)boronic acid HCl
    • DTXSID00586011
    • QRMMGONMBRVVKK-UHFFFAOYSA-N
    • 389621-79-8
    • (3-amino-5-nitro-phenyl)boronic acid hydrochloride
    • MFCD03411933
    • FT-0644566
    • (3-amino-5-nitrophenyl)boronic acid;hydrochloride
    • CS-0174311
    • C6H8BClN2O4
    • SCHEMBL2683825
    • A824350
    • 3-Amino-5-nitrophenylboronic Acid, Hydrochloride
    • AKOS016001350
    • (3-Amino-5-nitrophenyl)boronic acid--hydrogen chloride (1/1)
    • AB14283
    • 3-Amino-5-nitrophenylboronic Acid HCl
    • DB-017963
    • (3-amino-5-nitrophenyl)boronic acid,hydrochloride
    • MDL: MFCD03411933
    • Inchi: 1S/C6H7BN2O4.ClH/c8-5-1-4(7(10)11)2-6(3-5)9(12)13;/h1-3,10-11H,8H2;1H
    • InChI Key: QRMMGONMBRVVKK-UHFFFAOYSA-N
    • SMILES: Cl.OB(C1C=C(C=C(C=1)[N+](=O)[O-])N)O

Computed Properties

  • Exact Mass: 218.02700
  • Monoisotopic Mass: 218.026565
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 196
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 112

Experimental Properties

  • Melting Point: 136-141
  • Boiling Point: 484.1°C at 760 mmHg
  • Flash Point: 246.6°C
  • PSA: 112.30000
  • LogP: 0.76320

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