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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 Mass
- 228.66 g/mol
Identifiers
CAS Registry Number
127-65-1
SMILES
Cc1ccc(S(=O)(=O)NCl)cc1.[Na]
InChI Key
SJUGPXBWZCQTKM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5,9H,1H3;
Names and Synonyms
- Chloramine-T Synonym
- Benzenesulfonamide, N-chloro-4-methyl-, sodium salt (1:1) Synonym
- p-Toluenesulfonamide, N-chloro-, sodium salt Synonym
- Benzenesulfonamide, N-chloro-4-methyl-, sodium salt Synonym
- Aktivin Synonym
- Chloraseptine Synonym
- Chlorazone Synonym
- N-Chloro-p-toluenesulfonamide sodium Synonym
- Chlorozone Synonym
- Clorina Synonym
- Chlorazene Synonym
- Euclorina Synonym
- Gansil Synonym
- Gyneclorina Synonym
- Mannolite Synonym
- Mianine Synonym
- Sodium N-chloro-p-toluenesulfonamide Synonym
- Sodium p-toluenesulfonchloramide Synonym
- Sodium p-toluenesulfonylchloramide Synonym
- Sodium tosylchloramide Synonym
- Tampules Synonym
- Tochlorine Synonym
- Tolamine Synonym
- Tosylchloramide sodium Synonym
- Halamid Synonym
- Chlorazan Synonym
- Kloramin Synonym
- Sodium chloramine T Synonym
- Chlorasan Synonym
- Kloramine-T Synonym
- Monochloramine T Synonym
- N-Chloro-p-toluenesulfonamide sodium salt Synonym
- Chloramine-T Synonym
- N-Chlorotoluenesulfonamide sodium salt Synonym
- Acti-chlore Synonym
- Clorosan Synonym
- Anexol Synonym
- Berkendyl Synonym
- Heliogen Synonym
- Chloralone Synonym
- Cloramine T Synonym
- Chlorseptol Synonym
- Sodium p-toluenesulfochloramide Synonym
- Multichlor Synonym
- Desinfect Synonym
- Sodium N-chloro-4-methylbenzenesulfonamide Synonym
- Aseptoclean Synonym
- Aktiven Synonym
- Chlorazene hydrosol Synonym
- N-Chloro-4-methylbenzenesulfonamide sodium salt Synonym
- Kloramin B Synonym
- Asepto-Sol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.66 g/mol | CAS Common Chemistry |
| 228.65600000000003 g/mol | RDKit | |
| 228.656 g/mol | RDKit | |
| 229.654 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloramine-T | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(NCl)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5,9H,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=SJUGPXBWZCQTKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-177 °C (decomp) | CAS Common Chemistry |
| Name | Chloramine-T | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | 1.04632 | RDKit |
| 1.0463 | RDKit | |
| Molar Refractivity | 53.107500000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 227.986196456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
