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Chloramine-T Trihydrate

CAT: 0572-TRC-C315160-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C315160-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7080-50-4
Synonyms
Tosylchloramide sodium; Sodium N-chloro-4-methylbenzene-sulfonimidate trihydrate; Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3); Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate (9CI); Sodium, (N-chloro-p-toluenesulfonamido)-, trihydrate (8CI); Chloramine-T trihydrate; Tosylchloramide sodium trihydrate
Hazard Statement
Harmful if swallowed; UN number: UN3263; Packing Group: II
Purity
>95% (HPLC)
Smiles
O.O.O.[Na+].[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cl.Cc2ccc(cc2)S(=O)(=O)[N-]Cl.Cc3ccc(cc3)S(=O)(=O)[N-]Cl
Molecular Formula
3C7H7ClNO2S.3Na.3H2O
Molecular Weight
736.98
InChI
InChI=1S/3C7H7ClNO2S.3Na.3H2O/c3*1-6-2-4-7(5-3-6)12(10,11)9-8;;;;;;/h3*2-5H,1H3;;;;3*1H2/q3*-1;3*+1;;;
Additionnal Information
IUPAC name: sodium;chloro(p-tolylsulfonyl)azanide;hydrate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

chloramine-T trihydrate
CAS Number7080-50-4
PubChem CID517414
IUPAC Namesodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate
Molecular FormulaC7H13ClNNaO5S
Molecular Weight281.69
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity231
SMILES
CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]
InChI
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;;;
InChIKey
NZYOAGBNMCVQIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of chloramine-T trihydrate
CAS: 7080-50-4
CID: 517414
Formula: C7H13ClNNaO5S
MW: 281.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.69
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass281.0100657
Monoisotopic Mass281.0100657
Topological Polar Surface Area46.5 Ų
Heavy Atom Count16
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 Count5
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-211067Chloramine T trihydrate
269720-01Chloramine-T Trihydrate
LC-10341.2Chloramine-T trihydrate p.A.
00740 00250Chloramine T trihydrate 99% AR
00739 00500Chloramine T trihydrate 98% For Synthesis
444310-01Chloramine T trihydrate discontinued. See 236846
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