3-Amino-5-nitrophenylboronic acid (Contains varying amounts of anhydride) - ≥98% , CAS No.89466-05-7

CAS: 89466-05-7 Cat. No.: A187871 Peso molecular: 181.94 Número EC: 688-434-2

GRADE & PURITY ≥98%

Synonyms

MFCD08436012 | (3-amino-5-nitrophenyl)boronicacid | DTXSID20372256 | (3-amino-5-nitrophenyl)boronic acid | FT-0642124 | BS-23944 | (3-amino-5-nitro-phenyl)boronic acid;3-Amino-5-nitrophenylboronic Acid | AB44928 | 3-Amino-5-nitrophenylboronic acid | 3-BOR

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

MFCD08436012 | (3-amino-5-nitrophenyl)boronicacid | DTXSID20372256 | (3-amino-5-nitrophenyl)boronic acid | FT-0642124 | BS-23944 | (3-amino-5-nitro-phenyl)boronic acid;3-Amino-5-nitrophenylboronic Acid | AB44928 | 3-Amino-5-nitrophenylboronic acid | 3-BOR

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC(=CC(=C1)[N+](=O)[O-])N)(O)O
• IUPAC Name: (3-amino-5-nitrophenyl)boronic acid
• InChIKey: KLVJZQJSYAKUKK-UHFFFAOYSA-N
• INCHI: 1S/C6H7BN2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H,8H2
• Isómeros SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])N)(O)O
• Peso molecular: 181.94
• Reaxy-Rn: 2974345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2974345&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Aniline and substituted anilines Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Primary amines Organopnictogen compounds Organoboron compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Boronic acid derivative - Boronic acid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Organic zwitterion - Primary amine - Organonitrogen compound - Organoboron compound - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 181.940 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.05 Da
• Monoisotopic Mass: 182.05 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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