1,2-Benzenedisulfonic Imide - ≥98% , CAS No.4482-01-3

CAS: 4482-01-3 Cat. No.: B303738 Peso molecular: 219.23 Número EC: 810-929-0

GRADE & PURITY ≥98%

Synonyms

MFCD07779379 | 1,3,2-benzodithiazole 1,1,3,3-tetroxide | SCHEMBL2563736 | 2H-benzo[d][1,3,2]dithiazole 1,1,3,3-tetraoxide | O-BENZENEDISULFONIMIDE | 1,3,2-Benzodithiazole 1,1,3,3-Tetraoxide | QRWQFOHBHHIZKG-UHFFFAOYSA-N | Benzo[d][1,3,2]dithiazole 1,1,3,3

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

MFCD07779379 | 1, 3, 2-benzodithiazole 1, 1, 3, 3-tetroxide | SCHEMBL2563736 | 2H-benzo[d][1, 3, 2]dithiazole 1, 1, 3, 3-tetraoxide | O-BENZENEDISULFONIMIDE | 1, 3, 2-Benzodithiazole 1, 1, 3, 3-Tetraoxide | QRWQFOHBHHIZKG-UHFFFAOYSA-N | Benzo[d][1, 3, 2]dithiazole 1, 1, 3, 3

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196686
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196686
• Sonrisas canónicas: C1=CC=C2C(=C1)S(=O)(=O)NS2(=O)=O
• IUPAC Name: 1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
• InChIKey: QRWQFOHBHHIZKG-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO4S2/c8-12(9)5-3-1-2-4-6(5)13(10,11)7-12/h1-4,7H
• Isómeros SMILES: C1=CC=C2C(=C1)S(=O)(=O)NS2(=O)=O
• Peso molecular: 219.23
• Reaxy-Rn: 190023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=190023&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Organosulfonic acids and derivatives Organoheterocyclic compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• 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: Moisture Sensitive
• Punto de fusión (°C): 197°C
• Peso molecular: 219.200 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 218.966 Da
• Monoisotopic Mass: 218.966 Da
• Topological Polar Surface Area: 97.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 359.000
• 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