ácido 4-(hidracinocarbonil)bencenoborónico - ≥95% , CAS No.850567-95-2

CAS: 850567-95-2 Cat. No.: B187017 Peso molecular: 180

GRADE & PURITY ≥95%

Synonyms

F87540 | 4-(Hydrazinecarbonyl)benzeneboronic acid | PS-9569 | 4-aminocarbamoylphenylboronic acid | 4-(HYDRAZINOCARBONYL)BENZENEBORONIC ACID | MFCD06659865 | SCHEMBL1445863 | 4-Boronobenzohydrazide | A853744 | 4-(hydrazinecarbonyl)phenylboronic acid | DTXS

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

F87540 | 4-(Hydrazinecarbonyl)benzeneboronic acid | PS-9569 | 4-aminocarbamoylphenylboronic acid | 4-(HYDRAZINOCARBONYL)BENZENEBORONIC ACID | MFCD06659865 | SCHEMBL1445863 | 4-Boronobenzohydrazide | A853744 | 4-(hydrazinecarbonyl)phenylboronic acid | DTXS

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770259
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770259
• Sonrisas canónicas: B(C1=CC=C(C=C1)C(=O)NN)(O)O
• IUPAC Name: [4-(hydrazinecarbonyl)phenyl]boronic acid
• InChIKey: TZOYLNOZUCPDCL-UHFFFAOYSA-N
• INCHI: 1S/C7H9BN2O3/c9-10-7(11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H,9H2,(H,10,11)
• Isómeros SMILES: B(C1=CC=C(C=C1)C(=O)NN)(O)O
• Peso molecular: 180
• Reaxy-Rn: 35637096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35637096&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Carboxylic acid hydrazides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Carboxylic acid hydrazide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a 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

• Punto de fusión (°C): 236-240°C
• Peso molecular: 179.970 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.071 Da
• Monoisotopic Mass: 180.071 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 181.000
• 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

XLogP3

Referencias

1. Zhen Lin, Mingming Rong, Wanyu Tang, Zixian Yang, Yifei Xu, Jing Xu, Yuanqiang Guo.  (2026)  Smart nano-assembly from traditional Chinese medicine: manganese-enhanced polysaccharide platform for orchestrated cancer chemo-immunotherapy.  Journal of Advanced Research,      [PMID:] [10.1016/j.jare.2026.03.030]