(4,4-DABA) - ≥99.5% , CAS No.7545-50-8

CAS: 7545-50-8 Cat. No.: D1507146 Fórmula: C₁₂H₁₂N₂O₄S Peso molecular: 280.3 Beilstein Registry Number: 13(4)2561 Número CE: 231-428-8

GRADE & PURITY ≥99.5%

Storage

Room temperature

Specifications

Especificações e pureza

≥99.5%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥99.5%

Nomes e identificadores

• Sorrisos canónicos: NC1=C(O)C=CC(=C1)S(=O)(=O)C1=CC(N)=C(O)C=C1
• IUPAC Name: 4,4'-Sulfonylbis(2-aminophenol)
• InChIKey: KECOIASOKMSRFT-UHFFFAOYSA-N
• INCHI: InChI=1S/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2
• SMILES isoméricas: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O
• Peso molecular: 280.3
• Beilstein: 13(4)2561
• Reaxy-Rn: 2750060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2750060&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: o-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Sulfones Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Aminophenol - O-aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfone - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 231°C

Referências

1. Chengbao Geng, Pei Huang, Fangbo Zhao, Hongxing Dong, Hongyan Niu, Yue Zhou, Jun Shen, Jiaming Zhang.  (2021)  Enhancing the long-term separation stability of TFC membrane by the covalent bond between synthetic amino-substituted polyethersulfone substrate and polyamide layer.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2021.119637]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7545-50-8. InChIKey KECOIASOKMSRFT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.