2-Sulfobenzoic Anhydride - ≥95% , CAS No.81-08-3

CAS: 81-08-3 Cat. No.: S161292 Peso molecular: 184.17 Beilstein Registry Number: 19110 Número EC: 201-322-6

GRADE & PURITY ≥95%

Synonyms

2-sulfobenzoic acid anhydride | 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide | EINECS 201-322-6 | S-9350 | BCP26935 | FT-0613416 | 3H-2,1-benzoxathiol-3-one 1,1-dioxide | 2-Sulfobenzoic acid cyclic anhydride, technical grade, 90% | 2-Sulfobenzoic anhydride | 3H

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

2-sulfobenzoic acid anhydride | 3H-2, 1-Benzoxathiol-3-one, 1, 1-dioxide | EINECS 201-322-6 | S-9350 | BCP26935 | FT-0613416 | 3H-2, 1-benzoxathiol-3-one 1, 1-dioxide | 2-Sulfobenzoic acid cyclic anhydride, technical grade, 90% | 2-Sulfobenzoic anhydride | 3H

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504754003
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754003
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
• IUPAC Name: 1,1-dioxo-2,1λ6-benzoxathiol-3-one
• InChIKey: NCYNKWQXFADUOZ-UHFFFAOYSA-N
• INCHI: 1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
• Peso molecular: 184.17
• Beilstein: 19110
• Reaxy-Rn: 139893

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxathioles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxathioles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxathioles
• Alternative Parents: Benzenoids Organosulfonic acids and derivatives Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxathiole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxathioles. These are organic compounds containing a benzene fused to an oxathiole ring (a five-membered ring with four carbon atoms, one oxygen atom, and one sulfur 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 Toluene
• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 184-186 °C/18 mmHg(lit.)
• Punto de fusión (°C): 116-127℃
• Peso molecular: 184.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 183.983 Da
• Monoisotopic Mass: 183.983 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 300.000
• 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