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Chloramine-T
CAS: 127-65-1 | C7H8ClNNaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-65-1
Molecular Formula:
C7H8ClNNaO2S
Molecular Weight:
228.65600000000003 g/mol
Names and Synonyms:
Chloramine-T
Benzenesulfonamide, N-chloro-4-methyl-, sodium salt (1:1)
p-Toluenesulfonamide, N-chloro-, sodium salt
Benzenesulfonamide, N-chloro-4-methyl-, sodium salt
Aktivin
Chloraseptine
Chlorazone
N-Chloro-p-toluenesulfonamide sodium
Chlorozone
Clorina
Chlorazene
Euclorina
Gansil
Gyneclorina
Mannolite
Mianine
Sodium N-chloro-p-toluenesulfonamide
Sodium p-toluenesulfonchloramide
Sodium p-toluenesulfonylchloramide
Sodium tosylchloramide
Tampules
Tochlorine
Tolamine
Tosylchloramide sodium
Halamid
Chlorazan
Kloramin
Sodium chloramine T
Chlorasan
Kloramine-T
Monochloramine T
N-Chloro-p-toluenesulfonamide sodium salt
Chloramine-T
N-Chlorotoluenesulfonamide sodium salt
Acti-chlore
Clorosan
Anexol
Berkendyl
Heliogen
Chloralone
Cloramine T
Chlorseptol
Sodium p-toluenesulfochloramide
Multichlor
Desinfect
Sodium N-chloro-4-methylbenzenesulfonamide
Aseptoclean
Aktiven
Chlorazene hydrosol
N-Chloro-4-methylbenzenesulfonamide sodium salt
Kloramin B
Asepto-Sol
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)NCl)cc1.[Na]
InChI:
InChI=1S/C7H8ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5,9H,1H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 228.66 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chloramine-T None | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(NCl)C1=CC=C(C=C1)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5,9H,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=SJUGPXBWZCQTKM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 170-177 °C (decomp) None | Legacy Database |
| cas-name | Chloramine-T None | Legacy Database |
| wikipedia-name | Chloramine-T None | Legacy Database |
| LogP | 1.04632 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 228.65600000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 227.986196456 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.17 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 53.107500000000016 | RDKit |
