Allylphenylsulfon - ≥95%(GC) , CAS No.16212-05-8

CAS: 16212-05-8 Cat. No.: A151331 Summenformel: C₉H₁₀O₂S Molekulargewicht: 182.24 Beilstein Registry Number: 1863560 EG-Nummer: 240-338-8

GRADE & PURITY ≥95%(GC)

Synonyms

(Prop-2-en-1-sulfonyl)benzol | MFCD00014739 | 37KT5U3YH4 | (Allylsulfonyl)benzol | Allylphenylsulfon | Benzol, (2-Propenylsulfonyl)- | Glucuronat-1-P | N-Acetyl-b-glucosaminylamin | Allylphenylsulfon | 4-06-00-01480 (Beilstein Handbook Reference)

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Shipped In

Nasses Eis

Specifications

Synonyme

(Prop-2-en-1-sulfonyl)benzol | MFCD00014739 | 37KT5U3YH4 | (Allylsulfonyl)benzol | Allylphenylsulfon | Benzol, (2-Propenylsulfonyl)- | Glucuronat-1-P | N-Acetyl-b-glucosaminylamin | Allylphenylsulfon | 4-06-00-01480 (Beilstein Handbook Reference)

Spezifikationen & Reinheit

≥95%(GC)

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Verschickt in

Nasses Eis

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504755805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755805

Kanonisches Lächeln

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

Isomere SMILES

C=CCS(=O)(=O)C1=CC=CC=C1

WGK Deutschland

3

RTECS

WR2400000

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light & air sensitive
• Brechungsindex: 1.55
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 128°C/0.9mmHg(lit.)
• Molekulargewicht: 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