Azobenzene-3,3'-dicarboxylic Acid - ≥95%(HPLC)(T) , CAS No.621-18-1

CAS: 621-18-1 Cat. No.: A151053 Peso molecular: 270.24 Beilstein Registry Number: 16(3)217 Número EC: 677-087-2

GRADE & PURITY ≥95%(HPLC)(T)

Synonyms

Azonenzene-3,3\\'-dicarboxylic acid | Azonenzene-3,3'-dicarboxylic acid | (E)-3,3'-(diazene-1,2-diyl)dibenzoic acid | T71132 | 3,3'-Azodibenzoic Acid | DTXSID30342041 | 3-[(1E)-2-(3-carboxyphenyl)diazen-1-yl]benzoic acid | (E)-3,3'-(diazene-1,2-diyl)diben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Azonenzene-3, 3\\'-dicarboxylic acid | Azonenzene-3, 3'-dicarboxylic acid | (E)-3, 3'-(diazene-1, 2-diyl)dibenzoic acid | T71132 | 3, 3'-Azodibenzoic Acid | DTXSID30342041 | 3-[(1E)-2-(3-carboxyphenyl)diazen-1-yl]benzoic acid | (E)-3, 3'-(diazene-1, 2-diyl)diben

Especificaciones y pureza

≥95%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 488190404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190404
• Sonrisas canónicas: C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O
• IUPAC Name: 3-[(3-carboxyphenyl)diazenyl]benzoic acid
• InChIKey: QBVIXYABUQQSRY-UHFFFAOYSA-N
• INCHI: 1S/C14H10N2O4/c17-13(18)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)
• Isómeros SMILES: C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O
• Peso molecular: 270.24
• Beilstein: 16(3)217
• Reaxy-Rn: 1843267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1843267&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzoic acids Benzoyl derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azo compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated 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

• Peso molecular: 270.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 270.064 Da
• Monoisotopic Mass: 270.064 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 361.000
• 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

Referencias

1. Cai Defu, Han Cuiyan, Liu Chang, Ma Xiaoxing, Qian Jiayi, Zhou Jianwen, Li Yue, Sun Yiming, Zhang Changting, Zhu Wenquan.  (2020)  Chitosan-capped enzyme-responsive hollow mesoporous silica nanoplatforms for colon-specific drug delivery.  Nanoscale Research Letters,  15  (1): (1-13).  [PMID:32488526] [10.1186/s11671-020-03351-8]