2,4-Butanesultone - ≥98%(GC) , CAS No.1121-03-5

CAS: 1121-03-5 Cat. No.: B152088 Peso molecular: 136.17

GRADE & PURITY ≥98%(GC)

Synonyms

1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBONYLCHLORIDE | SCHEMBL353546 | 3-Methyl-1,2-oxathiolane 2,2-dioxide | EINECS 214-325-2 | VWEYDBUEGDKEHC-UHFFFAOYSA-N | 2,4-butane sultone | 3-Methyl-1,2-oxathiolane2,2-dioxide | FT-0652311 | 1,2-Oxathiolane, 3-methyl-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1-METHYL-1H-1, 2, 3-BENZOTRIAZOLE-5-CARBONYLCHLORIDE | SCHEMBL353546 | 3-Methyl-1, 2-oxathiolane 2, 2-dioxide | EINECS 214-325-2 | VWEYDBUEGDKEHC-UHFFFAOYSA-N | 2, 4-butane sultone | 3-Methyl-1, 2-oxathiolane2, 2-dioxide | FT-0652311 | 1, 2-Oxathiolane, 3-methyl-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754559
• Sonrisas canónicas: CC1CCOS1(=O)=O
• IUPAC Name: 3-methyloxathiolane 2,2-dioxide
• InChIKey: VWEYDBUEGDKEHC-UHFFFAOYSA-N
• INCHI: 1S/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3
• Isómeros SMILES: CC1CCOS1(=O)=O
• RTECS: RP5480000
• Peso molecular: 136.17
• Reaxy-Rn: 110592
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110592&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxathiolanes
      • Subclass Gamma sultones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxathiolanes
• Subclass: Gamma sultones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma sultones
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma-sultone - Organosulfonic acid ester - Sulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma sultones. These are organic compounds containing a gamma-sultone, a Intramolecular cyclic ester of hydroxy sulfonic acid, with a SO ring bond, and three ring carbon atoms.
• 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

• Sensibilidad: Heat sensitive;Moisture sensitive
• Punto de inflamación (°F): 93°C(lit.)
• Punto de inflamación (°C): 93°C
• Punto de ebullición (°C): 150°C/12mmHg(lit.)
• Peso molecular: 136.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.019 Da
• Monoisotopic Mass: 136.019 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Zikai Li, Anru Guo, Dong Liu.  (2022)  Water-Soluble Conductive Composite Binder for High-Performance Silicon Anode in Lithium-Ion Batteries.  Batteries-Basel,  8  (6): (54).  [PMID:] [10.3390/batteries8060054]

2. Yuwei Qiu, Chaojie Yu, Xiaobo Xu, Xiaochen Lu, Fanglian Yao, Hong Sun, Hong Zhang, Junjie Li.  (2025)  Hierarchical-doping conducting polymer-based hydrogel for photothermal-activated microenvironment remodeling in myocardial infarction.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171552]