2-Chloroethyl Phenyl Sulfone - ≥97% , CAS No.938-09-0

CAS: 938-09-0 Cat. No.: C153615 Molecular Weight: 204.67 EC Number: 213-337-5

GRADE & PURITY ≥97%

Synonyms

NSC207409 | NSC-207409 | TERT-BUTYL7-HYDROXY-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE | STR07209 | FT-0611946 | ((2-CHLOROETHYL)SULFONYL)BENZENE | (2-chloroethanesulfonyl)benzene | (beta-chloroethylsulfonyl)benzene | 2-Chloroethylsulfonylbenzene | EVR4295G7

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

NSC207409 | NSC-207409 | TERT-BUTYL7-HYDROXY-3, 4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE | STR07209 | FT-0611946 | ((2-CHLOROETHYL)SULFONYL)BENZENE | (2-chloroethanesulfonyl)benzene | (beta-chloroethylsulfonyl)benzene | 2-Chloroethylsulfonylbenzene | EVR4295G7

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752479
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752479
• Canonical Smiles: C1=CC=C(C=C1)S(=O)(=O)CCCl
• IUPAC Name: 2-chloroethylsulfonylbenzene
• InChIKey: NUJGORANFDSMOL-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)CCCl
• Molecular Weight: 204.67
• Reaxy-Rn: 1104341
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1104341&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

CCRF-CEM (65223 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 174°C/7mmHg(lit.)
• Melt Point(°C): 55 °C
• Molecular Weight: 204.670 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.001 Da
• Monoisotopic Mass: 204.001 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 212.000
• 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