Ethanesulfonyl Chloride - ≥98% , CAS No.594-44-5

CAS: 594-44-5 Cat. No.: E136203 Formule: C₂H₅ClO₂S Poids moléculaire: 128.57 Beilstein Registry Number: 4,6 Numéro CE: 209-842-5

GRADE & PURITY ≥98%

Synonyms

ethylsulfonylchloride | NSC 8649 | ethane sulfonyl chloride | ethanesulphonylchloride | ethanesufonyl chloride | ethylsulfuryl chloride | MFCD00007460 | Q27274390 | EtSO2Cl | ethyl sulfonyl chloride | A832325 | AKOS000120166 | NSC8649 | NSC-8649 | ethane

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

ethylsulfonylchloride | NSC 8649 | ethane sulfonyl chloride | ethanesulphonylchloride | ethanesufonyl chloride | ethylsulfuryl chloride | MFCD00007460 | Q27274390 | EtSO2Cl | ethyl sulfonyl chloride | A832325 | AKOS000120166 | NSC8649 | NSC-8649 | ethane

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508811800
• Sourires canoniques: CCS(=O)(=O)Cl
• IUPAC Name: ethanesulfonyl chloride
• InChIKey: FRYHCSODNHYDPU-UHFFFAOYSA-N
• INCHI: 1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
• Isomères SMILES: CCS(=O)(=O)Cl
• WGK Allemagne: 2
• RTECS: KI8050000
• Poids moléculaire: 128.57
• Beilstein: 4,6
• Reaxy-Rn: 773865
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773865&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine atom.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in ether, dichloromethane.
• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.45
• Point d'éclair (°F): 181.4 °F
• Point d'éclair (°C): 88°C
• Point d'ébullition (°C): 171°C
• Point de fusion (°C): -70°C
• Poids moléculaire: 128.580 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.97 Da
• Monoisotopic Mass: 127.97 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 108.000
• 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

Références

1. Zhang Chunhong, Xu Zice, Sui Wenbo, Zang Junbo, Ao Yuhui, Wang Lu, Shang Lei.  (2022)  Synergistic effect of novel ionic liquid/graphene complex on the flame retardancy of epoxy nanocomposites.  Carbon Letters,  33  (2): (501-516).  [PMID:] [10.1007/s42823-022-00440-9]

2. Genqiang Chen, Lina Zhu, Jiaxuan He, Song Zhang, Yuanhao Li, Xiaolong Guo, Di Sun, Yuee Tian, Shengming Liu, Xiaobo Huang, Zhiping Che.  (2021)  Synthesis and Anti-Oomycete Activity of 1-Sulfonyloxy/Acyloxydihydroeugenol Derivatives.  CHEMISTRY & BIODIVERSITY,  18  (9): (e2100329).  [PMID:34346150] [10.1002/cbdv.202100329]

3. Gen-Qiang Chen, Di Sun, Jin-Ming Yang, Song Zhang, Yue-E Tian, Zhi-Ping Che, Sheng-Ming Liu, Jia Jiang, Xiao-Min Lin.  (2021)  Synthesis of sulfonate derivatives of carvacrol and thymol as anti-oomycetes agents.  JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH,      [PMID:32406756] [10.1080/10286020.2020.1758675]

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5. Zhi-Ping Che, Jin-Ming Yang, Xi-Jie Shan, Yue-E Tian, Sheng-Ming Liu, Xiao-Min Lin, Jia Jiang, Mei Hu, Gen-Qiang Chen.  (2020)  Synthesis and insecticidal activity of sulfonate derivatives of sesamol against Mythimna separata in vivo.  JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH,      [PMID:31120307] [10.1080/10286020.2019.1616289]

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