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

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

GRADE & PURITY ≥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

Specifications

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