1,2-Ethanedisulfonic acid hydrate - ≥95%(T) , CAS No.110-04-3

CAS: 110-04-3 Cat. No.: E156417 Peso molecular: 190.20 Beilstein Registry Number: 4(4)78 Número EC: 203-732-0

GRADE & PURITY ≥95%(T)

Synonyms

?1,2-Ethanedisulfonic acid | 1,2-Ethanedisulphonic acid | InChI=1/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8) | 1,2-ETHANEDISULFONIC ACID [MI] | ethane-1,2-disulfonic acid | W-108697 | EINECS 203-732-0 | 1,2-ethane disulfonic acid | 1,2-Ethyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application：

It is employed in the preparation of "edisylate" salts. It is also used in biological studies to evaluate cellular metabolism and allergy using guinea pigs as the subject of the studies.

Specifications

Sinónimos

?1, 2-Ethanedisulfonic acid | 1, 2-Ethanedisulphonic acid | InChI=1/C2H6O6S2/c3-9(4, 5)1-2-10(6, 7)8/h1-2H2, (H, 3, 4, 5)(H, 6, 7, 8) | 1, 2-ETHANEDISULFONIC ACID [MI] | ethane-1, 2-disulfonic acid | W-108697 | EINECS 203-732-0 | 1, 2-ethane disulfonic acid | 1, 2-Ethyl

Especificaciones y pureza

≥95%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(T)

Nombres e identificadores

• Pubchem Sid: 508806952
• Sonrisas canónicas: C(CS(=O)(=O)O)S(=O)(=O)O
• IUPAC Name: ethane-1,2-disulfonic acid
• InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-N
• INCHI: 1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
• Isómeros SMILES: C(CS(=O)(=O)O)S(=O)(=O)O
• CAS alternativo: 5982-56-9
• Peso molecular: 190.20
• Beilstein: 4(4)78
• Reaxy-Rn: 1781377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: soluble in water, ethanol, ether, and very soluble in dioxane.
• Sensibilidad: Air Sensitive,Hygroscopic
• Peso molecular: 190.200 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 189.961 Da
• Monoisotopic Mass: 189.961 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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. Hongguo Zhang, Ting Li, Zhiquan Yang, Minhua Su, Lian Hou, Diyun Chen, Dinggui Luo.  (2017)  Highly efficient removal of perchlorate and phosphate by tailored cationic metal-organic frameworks based on sulfonic ligand linking with Cu-4,4′-bipyridyl chains.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2017.06.048]

2. Zhuohua Dai, Guangfa Wang, Fangfang Xiao, Da Lei, Xincun Dou.  (2023)  Amorphous Copper-Based Nanoparticles with Clusterization-Triggered Phosphorescence for Ultrasensing 2,4,6-Trinitrotoluene.  ADVANCED MATERIALS,  35  (24): (2300526).  [PMID:36929680] [10.1002/adma.202300526]