Cloruro de etanosulfonilo - ≥98% , CAS No.594-44-5

CAS: 594-44-5 Cat. No.: E136203 Peso molecular: 128.57 Beilstein Registry Number: 4,6 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCS(=O)(=O)Cl
• IUPAC Name: ethanesulfonyl chloride
• InChIKey: FRYHCSODNHYDPU-UHFFFAOYSA-N
• INCHI: 1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
• Isómeros SMILES: CCS(=O)(=O)Cl
• WGK Alemania: 2
• RTECS: KI8050000
• Peso molecular: 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
    • Clase Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in ether, dichloromethane.
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.45
• Punto de inflamación (°F): 181.4 °F
• Punto de inflamación (°C): 88°C
• Punto de ebullición (°C): 171°C
• Punto de fusión (°C): -70°C
• Peso molecular: 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

Referencias

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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