CAS 149358-73-6|N-氯-4-甲基苯磺酰胺钠盐水合物|N-chloro-4-methyl-N-sodiobenzene-1-sulfonamide hydrate|氯胺-T 水合物|N-chloro-4-methyl-N-sodiobenzenesulfonamide hydrate|Chloramine-T hydrate|N-Chloro...

Molecular Formula

C₇H₉ClNNaO₃S

Molecular Mass

245.65903

Exact Mass

244.98893611

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

Canonic Smiles

[Na]N(S(=O)(=O)c1ccc(cc1)C)Cl.O

Isomeric Smiles

Cc1ccc(cc1)S(=O)(=O)N([Na])Cl.O

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.9335

LogD (pH = 7.4)

0.9335

Log P

0.9335

Molar Refractivity

47.7934

Polarizability

20.932407

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

N-氯-4-甲基苯磺酰胺钠盐水合物氯胺-T 水合物Chloramine-T hydrateN-Chloro-p-toluenesulfonamide sodium salt hydrate

IUPAC name

N-chloro-4-methyl-N-sodiobenzene-1-sulfonamide hydrate

IUPAC Traditional name

N-chloro-4-methyl-N-sodiobenzenesulfonamide hydrate

MDL Number

MFCD00149065

CAS Number

149358-73-6

PubChem CID

16218604

Physical Property

Solubility

H2O: >100 mg/mL

Melting Point

167-170 °C (dec.)(lit.)

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

H302-H314-H334

Contact with acids liberates toxic gas.

UN 3263 8/PG 3

P261-P280-P305+P351+P338-P310

7-22-26-36/37/39-45

Product Information

98%

CH3C6H4SO2N(Cl)Na · xH2O

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Sigma Aldrich

C9887

Application
蛋白质碘化试剂。
Reactant for:
• Preparation of factor Xa inhibitors as novel anticoagulants1

857319

Application
A review.2
Capable of oxidative cyclization to produce various heterocycles.
Nitrene source for aziridinations and aminohydroxylations.
Reactant for:
• Preparation of factor Xa inhibitors as novel anticoagulants1
Packaging
1 kg in poly bottle
100 g in poly bottle
5 g in glass bottle

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