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

CAS: 7545-50-8 Cat. No.: D1507146 分子式: C₁₂H₁₂N₂O₄S 分子量: 280.3 Beilstein Registry Number: 13(4)2561 EC番号: 231-428-8

GRADE & PURITY ≥99.5%

Storage

Room temperature

Specifications

仕様と純度

≥99.5%

保管条件

Room temperature

純度

≥99.5%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 231°C

参考文献

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]

よくある質問

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.