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ChloraMine-T hydrate

CAT: 0804-HY-W145053-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W145053-01Size:1 g
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Description
ChloraMine-T hydrate (Sodium chloro (4-methylbenzenesulfonyl) azanide (hydrate) ) is a common reagent in various synthetic processes. It has been used as a reagent in aminohydroxylation and allylic amination reactions, a nitrogen source in aziridination reactions of alkenes and alkenes, and deprotection of sulfur groups in sulfur-containing compounds. It has been used as a reagent in the synthesis of factor Xa inhibitors. ChloraMine-T hydrate (Sodium chloro (4-methylbenzenesulfonyl) azanide (hydrate) ) (0.2% w/v) is also an antimicrobial agent that kills Staphylococcus epidermidis, Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Proteus mirabilis, and Enterococcus cloacae.
CAS Number
149358-73-6
Product Name Alternative
Sodium chloro (4-methylbenzenesulfonyl) azanide (hydrate)
UNSPSC
12352100
Hazard Statement
H302, H314, H334, H411
Target
Bacterial; Factor Xa
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/chloramine-t-hydrate.html
Purity
95.35
Smiles
O=S(N([Na])Cl)(C1=CC=C(C)C=C1)=O.[xH2O]
Molecular Formula
C7H7ClNNaO2S
Molecular Weight
227.64
Precautions
H302, H314, H334, H411
References & Citations
[1]Agnihotri, et al. Chloramine-T (sodium N-chloro-p-toluenesulfonamide) . Synlett 18, 2857-2858 (2005) .
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, monohydrate

See also: Chloramine T hydrate (annotation moved to).

CAS Number149358-73-6
PubChem CID16218604
IUPAC Namesodium;chloro-(4-methylphenyl)sulfonylazanide;hydrate
Molecular FormulaC7H9ClNNaO3S
Molecular Weight245.66
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity231
SMILES
CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.[Na+]
InChI
InChI=1S/C7H7ClNO2S.Na.H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;/h2-5H,1H3;;1H2/q-1;+1;
InChIKey
BXSDMMPOQRECKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, monohydrate
CAS: 149358-73-6
CID: 16218604
Formula: C7H9ClNNaO3S
MW: 245.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass244.9889363
Monoisotopic Mass244.9889363
Topological Polar Surface Area44.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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