CAS No.567-19-1,7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	567-19-1
Name:	7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide
Article Data:	70
$Molecular Structure of 567-19-1 (7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide)$
Formula:	C₇H₄ClNO₂S
Molecular Weight:	201.633
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;
Density:	1.64 g/cm³
Melting Point:	145-147 °C
Boiling Point:	377.1 °C at 760 mmHg
Flash Point:	181.9 °C
Appearance:	colorless solid
PSA:	54.88000
LogP:	1.89070

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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