Chloramine T trihydrate - ACS, ≥98% , CAS No.7080-50-4

CAS: 7080-50-4 Cat. No.: C104060 Fórmula: C₇H₇CINNaO₂S·3H₂O Peso molecular: 281.69 Beilstein Registry Number: 3924168 Número EC: 615-172-8

GRADE & PURITY ACS, ≥98%

Synonyms

Chloraseptin | Euclorina | Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate | Disifin | HALAMID AQUA | p-Toluenesulfonchloramide Sodium Salt | HY-U00087 | Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate | CHLORAMINE-T TRIHYDRA

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

Chloramine T (CAT) trihydrate is a commonly used reagent for organic synthesis especially in heterocyclic chemistry. CAT is an active chlorine compound that shows antimicrobial activity.

for the detection of halogens and bromate；Chloramine T trihydrate may be used as an oxidizing agent in the synthesis of 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine derivatives and novel isoxazolines.

It may also be used in the synthesis of the following compounds:

· Nitrile imines by the oxidative dehydrogenation of N-(nitrobenzyl)-imidazole aldehyde hydrazine.

· Mono-N-tosylated-1,2-diamines.

· 3,5-Disubstituted isoxazoles.

· Fused 3,6-disubstituted triazolothiadiazoles by the oxidative cyclization of N-heteroaryl-substituted hydrazones.

Nitrene source for aziridinations and aminohydroxylations.

Specifications

Sinónimos

Chloraseptin | Euclorina | Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate | Disifin | HALAMID AQUA | p-Toluenesulfonchloramide Sodium Salt | HY-U00087 | Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate | CHLORAMINE-T TRIHYDRA

Especificaciones y pureza

ACS, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Grado

ACS

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488189976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189976

Sonrisas canónicas

CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]

IUPAC Name

sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate

InChIKey

NZYOAGBNMCVQIV-UHFFFAOYSA-N

INCHI

1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;

Isómeros SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]

WGK Alemania

2

CAS alternativo

127-65-1

Número ONU

3263

Peso molecular

281.69

Beilstein

3924168

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids and derivatives Organic metal halides Organic sodium salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic metal halide - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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 (humanos)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Objetivos asociados (no humanos)

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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 and ethyl alcohol. Insoluble in benzene and ethers.
• Sensibilidad: Light sensitive.Air & Moisture Sensitive
• Punto de inflamación (°F): 377.6 °F
• Punto de inflamación (°C): 192 °C
• Punto de fusión (°C): 167-170°C
• Peso molecular: 281.690 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 281.01 Da
• Monoisotopic Mass: 281.01 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 231.000
• 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: 5

XLogP3