2-Amino-4-bromophenol - ≥98% , CAS No.40925-68-6

CAS: 40925-68-6 Cat. No.: A123465 Peso molecular: 188.02 Beilstein Registry Number: 3236448 Número EC: 627-173-0

GRADE & PURITY ≥98%

Synonyms

AC-1070 | FT-0602128 | SCHEMBL282322 | Z385458142 | Phenol, 2-amino-4-bromo- | SY013005 | AKOS005206940 | A6818 | MFCD00235171 | A842829 | CCG-326086 | STK399763 | DTXSID00326075 | 2-Amino-4-bromophenol, >=94% | BCP9000087 | 4-BROMO-2-AMINOPHENOL | 2-amin

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Reactant for: 1.Preparation of (aryl)oxadiazolobenzoxazinones via Suzuki-Miyaura reaction. 2.Copper-catalyzed oxidative amination of benzoxazoles and related azoles via C-H and C-N bond activation. 3.Synthesis of N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as protein tyrosine phophatase 1B inhibitors. 4. Preparation of lipophilic deoxy-xylulose-phosphate reductoisomerase inhibitors. 5.Synthesis of benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.

application：

Reactant for:

Preparation of (aryl)oxadiazolobenzoxazinones via Suzuki-Miyaura reaction

Copper-catalyzed oxidative amination of benzoxazoles and related azoles via C-H and C-N bond activation

Synthesis of N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as protein tyrosine phophatase 1B inhibitors

Preparation of lipophilic deoxy-xylulose-phosphate reductoisomerase inhibitors

Synthesis of benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase

Specifications

Sinónimos

AC-1070 | FT-0602128 | SCHEMBL282322 | Z385458142 | Phenol, 2-amino-4-bromo- | SY013005 | AKOS005206940 | A6818 | MFCD00235171 | A842829 | CCG-326086 | STK399763 | DTXSID00326075 | 2-Amino-4-bromophenol, >=94% | BCP9000087 | 4-BROMO-2-AMINOPHENOL | 2-amin

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

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

• Pubchem Sid: 488189618
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189618
• Sonrisas canónicas: C1=CC(=C(C=C1Br)N)O
• IUPAC Name: 2-amino-4-bromophenol
• InChIKey: JHRIPENGTGSNPJ-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
• Isómeros SMILES: C1=CC(=C(C=C1Br)N)O
• WGK Alemania: 3
• Peso molecular: 188.02
• Beilstein: 3236448
• Reaxy-Rn: 3236448
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236448&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: o-Aminophenols Aniline and substituted anilines Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Primary amines Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - O-aminophenol - Aniline or substituted anilines - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
• 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

Propiedades químicas y físicas

• Sensibilidad: light & air sensitive；Heat sensitive；Moisture sensitive
• Punto de fusión (°C): 133°C
• Peso molecular: 188.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

Referencias

1. Shiliang Liu, Rui Yang, Qixin Zhuang, Guozhu Zhan, Peiyuan Zuo, Xiaoyun Liu.  (2024)  Thermosetting benzoxazoles with endo-alkynyl groups: Excellent thermal stability and low dielectric loss.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127318]