Allyl Phenyl Sulfone - ≥95%(GC) , CAS No.16212-05-8

CAS: 16212-05-8 Cat. No.: A151331 Molecular Weight: 182.24 Beilstein Registry Number: 1863560 EC Number: 240-338-8

GRADE & PURITY ≥95%(GC)

Synonyms

(prop-2-ene-1-sulfonyl)benzene | MFCD00014739 | 37KT5U3YH4 | (Allylsulfonyl)benzene | allylphenylsulfone | Benzene, (2-propenylsulfonyl)- | glucuronate-1-P | N-Acetyl-b-glucosaminylamine | Allylphenyl sulfone | 4-06-00-01480 (Beilstein Handbook Reference)

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(prop-2-ene-1-sulfonyl)benzene | MFCD00014739 | 37KT5U3YH4 | (Allylsulfonyl)benzene | allylphenylsulfone | Benzene, (2-propenylsulfonyl)- | glucuronate-1-P | N-Acetyl-b-glucosaminylamine | Allylphenyl sulfone | 4-06-00-01480 (Beilstein Handbook Reference)

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504755805
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755805
• Canonical Smiles: C=CCS(=O)(=O)C1=CC=CC=C1
• IUPAC Name: prop-2-enylsulfonylbenzene
• InChIKey: KYPIULIVYSQNNT-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
• Isomeric SMILES: C=CCS(=O)(=O)C1=CC=CC=C1
• WGK Germany: 3
• RTECS: WR2400000
• Molecular Weight: 182.24
• Beilstein: 1863560
• Reaxy-Rn: 1863561
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863561&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 Allyl sulfur compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Allyl sulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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

Chemical and Physical Properties

• Sensitivity: light & air sensitive
• Refractive Index: 1.55
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 128°C/0.9mmHg(lit.)
• Molecular Weight: 182.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.04 Da
• Monoisotopic Mass: 182.04 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 230.000
• 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