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1,2-Benzisothiazole,3-chloro-, 1,1-dioxide

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Name

1,2-Benzisothiazole,3-chloro-, 1,1-dioxide

EINECS N/A
CAS No. 567-19-1 Density 1.64 g/cm3
PSA 54.88000 LogP 1.89070
Solubility N/A Melting Point 145-147 °C
Formula C7H4ClNO2S Boiling Point 377.1 °C at 760 mmHg
Molecular Weight 201.633 Flash Point 181.9 °C
Transport Information N/A Appearance colorless solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 567-19-1 (7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide) Hazard Symbols N/A
Synonyms

3-Chloro-1,2-benzisothiazole1,1-dioxide;3-Chloro-1H-benzo[d]isothiazole-1,1-dione;3-Chlorobenzisothiazole1,1-dioxide;3-Chlorobenzo[d]isothiazole 1,1-dioxide;NSC 49757;Pseudosaccharin chloride;Pseudosaccharyl chloride;Saccharin chloride;Saccharin pseudochloride;g-Saccharin chloride;

Article Data 70

1,2-Benzisothiazole,3-chloro-, 1,1-dioxide Specification

This chemical is called 1,2-Benzisothiazole,3-chloro-, 1,1-dioxide, and it's also named as Pseudosaccharin chloride. With the molecular formula of C7H4ClNO2S, its molecular weight is 201.63. The CAS registry number of this chemical is 567-19-1. Additionally, its product categories are Pesticide Intermediates; Other Fungicides; Fungicide Intermediates. It's insoluble in water, soluble in dichloroethane, toluene and other solvents. What's more, this chemical could be obtained by the thionyl chloride and DMF catalyst.

Other characteristics of the 1,2-Benzisothiazole,3-chloro-, 1,1-dioxide can be summarised as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.7; (6)ACD/BCF (pH 7.4): 9.7; (7)ACD/KOC (pH 5.5): 177.03; (8)ACD/KOC (pH 7.4): 177.03; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.88 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 47.11 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 18.67×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.64 g/cm3; (19)Flash Point: 181.9 °C; (20)Enthalpy of Vaporization: 60.04 kJ/mol; (21)Boiling Point: 377.1 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cl/C2=N/S(=O)(=O)c1ccccc12
2.InChI: InChI=1/C7H4ClNO2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4H
3.InChIKey: VBEJRJPHNPIURV-UHFFFAOYAQ

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