Bis[4-(2-hydroxyethoxy)phenyl] sulfone - ≥97% , CAS No.27205-03-4

CAS: 27205-03-4 Cat. No.: B140265 Fórmula: C₁₆H₁₈O₆S Peso molecular: 338.38 Beilstein Registry Number: 6(4)5810 Número EC: 248-320-1

CALIDAD & PUREZA ≥97%

Synonyms

NSC 15880 | 2-{4-[4-(2-hydroxyethoxy)benzenesulfonyl]phenoxy}ethan-1-ol | 2,2'-((SULFONYLBIS(4,1-PHENYLENE))BIS(OXY))BIS(ETHAN-1-OL) | 2,2'-(Sulphonylbis(4,1-phenyleneoxy))bisethanol | MFCD00130282 | 4-(2-Hydroxyethoxy)phenyl Sulfone | bis [4-(2-hydroxyet

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

NSC 15880 | 2-{4-[4-(2-hydroxyethoxy)benzenesulfonyl]phenoxy}ethan-1-ol | 2,2'-((SULFONYLBIS(4,1-PHENYLENE))BIS(OXY))BIS(ETHAN-1-OL) | 2,2'-(Sulphonylbis(4,1-phenyleneoxy))bisethanol | MFCD00130282 | 4-(2-Hydroxyethoxy)phenyl Sulfone | bis [4-(2-hydroxyet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488186882

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186882

Sonrisas canónicas

C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO

IUPAC Name

2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol

InChIKey

UTNSTOOXQPHXJQ-UHFFFAOYSA-N

INCHI

1S/C16H18O6S/c17-9-11-21-13-1-5-15(6-2-13)23(19,20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2

Isómeros SMILES

C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO

WGK Alemania

3

Peso molecular

338.38

Beilstein

6(4)5810

Reaxy-Rn

2154343

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2154343&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Sulfonyl - Sulfone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 180.0-185.0℃
• Peso molecular: 338.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 338.082 Da
• Monoisotopic Mass: 338.082 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 382.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 27205-03-4, the molecular formula is C16H18O6S, and the molecular weight is 338.38 g/mol. InChIKey UTNSTOOXQPHXJQ-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.