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

CAS: 7080-50-4 Cat. No.: C104060 Molecular Weight: 281.69 Beilstein Registry Number: 3924168 EC Number: 615-172-8 PubChem CID: 517414

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,Argon charged,Room temperature

Shipped In

Normal

Overview

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

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

Specifications & Purity

ACS, ≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Grade

ACS

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189976
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189976
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]
• WGK Germany: 2
• PubChem CID: 517414
• UN Number: 3263
• Molecular Weight: 281.69
• Beilstein: 3924168

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and ethyl alcohol. Insoluble in benzene and ethers.
• Sensitivity: Light sensitive.Air & Moisture Sensitive
• Flash Point(°F): 377.6 °F
• Flash Point(°C): 192 °C
• Melt Point(°C): 167-170°C
• Molecular Weight: 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

References

1. Yuedan Xu, Yi Sun, Wei Liu, Zhiwei Shi, Xinyang Jin, Jiawei Xu, Xinni Pan, Zhixin Zhang, Baiping Fu, Ling Zhang.  (2022)  Effects of an orthodontic primer containing amorphous fluorinated calcium phosphate nanoparticles on enamel white spot lesions.  Journal of the Mechanical Behavior of Biomedical Materials,      [PMID:36379092] [10.1016/j.jmbbm.2022.105567]

2. Fangmiao Yu, Chuhong Zong, Shujie Jin, Jiawen Zheng, Nan Chen, Ju Huang, Yan Chen, Fangfang Huang, Zuisu Yang, Yunping Tang, Guofang Ding.  (2018)  Optimization of Extraction Conditions and Characterization of Pepsin-Solubilised Collagen from Skin of Giant Croaker (Nibea japonica).  Marine Drugs,  16  (1): (29).  [PMID:29342895] [10.3390/md16010029]

3. An Jie, Zhou Qin, Chu Kaile, Chen Siyuan, Niu Chenliang, Zhang Weiming, Gao Jie, Li Min, Cao Jianbo, Lv Junping, Zhang Di, Wu Zhifang, Li Sijin, Wei Hua.  (2025)  Tumor microenvironment-responsive precise delivery nanocarrier potentiating synchronous radionuclide therapy and chemotherapy against cancer.  JOURNAL OF NANOBIOTECHNOLOGY,  23  (1): (1-16).  [PMID:40229814] [10.1186/s12951-025-03364-4]