GRADE & PURITY ≥98%(T)

Synonyms

2-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide | 2-bromo-2,3-dihydro-1??,2-benzothiazole-1,1,3-trione | AS-67361 | QRADPXNAURXMSB-UHFFFAOYSA-N | SCHEMBL358766 | 2-bromo-1,1-dioxo-1,2-benzothiazol-3-one | SY053377 | TRIETHYLPHOSPHONOACETATE-2-13C | N-Brom

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Bromobenzo[d]isothiazol-3(2H)-one 1, 1-dioxide | 2-bromo-2, 3-dihydro-1??, 2-benzothiazole-1, 1, 3-trione | AS-67361 | QRADPXNAURXMSB-UHFFFAOYSA-N | SCHEMBL358766 | 2-bromo-1, 1-dioxo-1, 2-benzothiazol-3-one | SY053377 | TRIETHYLPHOSPHONOACETATE-2-13C | N-Brom

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504753924
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753924
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)Br
• IUPAC Name: 2-bromo-1,1-dioxo-1,2-benzothiazol-3-one
• InChIKey: QRADPXNAURXMSB-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)Br
• Peso molecular: 262.08
• Reaxy-Rn: 1213969
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1213969&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2-benzothiazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen 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

• Sensibilidad: Heat Sensitive
• Peso molecular: 262.079 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 260.91 Da
• Monoisotopic Mass: 260.91 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 334.000
• 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