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| CAS No.: | 80-16-0 |
|---|---|
| Name: | Chloramine-B |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H6ClNO2S |
| Molecular Weight: | 191.638 |
| Synonyms: | Benzenesulfochloramide;N-Chlorobenzenesulfonamide;Phenylsulfamyl chloride; |
| Density: | 1.42 g/cm3 |
| Melting Point: | 170-173oC |
| Boiling Point: | 303.8 °C at 760 mmHg |
| Flash Point: | 137.6 °C |
| PSA: | 54.55000 |
| LogP: | 2.59040 |
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Specification
The Benzenesulfonamide,N-chloro- is an organic compound with the formula C6H6ClNO2S. The IUPAC name of this chemical is N-chlorobenzenesulfonamide. With the CAS registry number 80-16-0, it is also named as Chloramine-B. The product's classification codes are Anti-Infective Agents; Disinfectants.
Physical properties about Benzenesulfonamide,N-chloro- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): -0.18; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.35; (7)ACD/KOC (pH 7.4): 2.3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.76 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 44.05 cm3; (14)Molar Volume: 134.9 cm3; (15)Polarizability: 17.46×10-24cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.42 g/cm3; (18)Flash Point: 137.6 °C; (19)Enthalpy of Vaporization: 54.42 kJ/mol; (20)Boiling Point: 303.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000908 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NCl)c1ccccc1
(2)InChI: InChI=1/C6H6ClNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H
(3)InChIKey: CHVZPRDGLWBEMJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H6ClNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H
(5)Std. InChIKey: CHVZPRDGLWBEMJ-UHFFFAOYSA-N