Chloramine-T Hydrate

CAT: 0572-TRC-C315168-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C315168-500MGSize:500 mg

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CAS Number

149358-73-6

Hazard Statement

Harmful if swallowed; UN number: UN3263; Packing Group: II

Smiles

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

Molecular Formula

C7H7NO2SClNa . H2O

Molecular Weight

245.65

Shipping Conditions

Room Temperature

Chemical Information

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

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

CAS Number	149358-73-6
PubChem CID	16218604
IUPAC Name	sodium;chloro-(4-methylphenyl)sulfonylazanide;hydrate
Molecular Formula	C7H9ClNNaO3S
Molecular Weight	245.66
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	231

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

CAS: 149358-73-6

CID: 16218604

Formula: C7H9ClNNaO3S

MW: 245.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.66
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	244.9889363
Monoisotopic Mass	244.9889363
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
T85035-01	Chloramine-T hydrate
AR-C05576-01	Chloramine-T (hydrate)
OR72447	Chloramine B Hydrate
sc-286928	Z-L-Tyrosine t-butyl ester hydrate
T0669	Chloramine-T
08005-65	Chloramine T