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| CAS No.: | 473-29-0 |
|---|---|
| Name: | Dichloramine B |
| Molecular Structure: | |
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| Formula: | C6H5Cl2NO2S |
| Molecular Weight: | 226.083 |
| Synonyms: | N,N-Dichlorobenzenesulfamide;N,N-Dichlorobenzenesulfonamide;NSC 80504;Benzenedichlorosulfamide;Dichloramine-B(6CI);Halogen H1;Benzenesulfonic acid dichloroamide; |
| EINECS: | 207-461-9 |
| Density: | 1.562 g/cm3 |
| Melting Point: | 74 °C |
| Boiling Point: | 319.2 °C at 760 mmHg |
| Flash Point: | 146.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 8-36/37/38 |
| Safety: | 17-26-36/37/39 |
| PSA: | 45.76000 |
| LogP: | 3.06570 |
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Specification
The CAS registry number of Dichloramine B is 473-29-0. This chemical is also named as Benzenedichlorosulfamide. Its EINECS registry number is 207-461-9. In addition, its molecular formula is C6H5Cl2NO2S and molecular weight is 226.08. Its systematic name and IUPAC name are the same which is called N,N-dichlorobenzenesulfonamide.
Physical properties about Dichloramine B are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.23; (6)ACD/BCF (pH 7.4): 76.23; (7)ACD/KOC (pH 5.5): 774.18; (8)ACD/KOC (pH 7.4): 774.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 49.11 cm3; (14)Molar Volume: 144.7 cm3; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.562 g/cm3; (17)Flash Point: 146.8 °C; (18)Enthalpy of Vaporization: 56.07 kJ/mol; (19)Boiling Point: 319.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000344 mmHg at 25°C.
Uses of Dichloramine B: it can be used to produce N,N-bis-trimethylsilanyl-benzenesulfonamide at temperature of -10 °C. It will need reagent <(CH3)2N>3P and solvent CH2Cl2. The yield is about 75 %.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may cause fire when contacts with combustible material. So we should keep it away from combustible material. What's more, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(Cl)Cl)c1ccccc1
(2)InChI: InChI=1/C6H5Cl2NO2S/c7-9(8)12(10,11)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: PJBJJXCZRAHMCK-UHFFFAOYAO