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Basic Information
CAS No.: 70-10-0
Name: 6-CHLORO-1,2-BENZISOTHIAZOL-3(2H)-ONE
Molecular Structure:
Molecular Structure of 70-10-0 (6-CHLORO-1,2-BENZISOTHIAZOL-3(2H)-ONE)
Formula: C7H4 Cl N O S
Molecular Weight: 185.634
Synonyms: 1,2-Benzisothiazolin-3-one,6-chloro- (7CI,8CI); 6-Chloro-1,2-benzisothiazole-3-one;6-Chloro-1,2-benzisothiazolin-3-one; 6-Chloro-1,2-benzoisothiazol-3-one; FER1443; Landromil; Ticlaton; Ticlatone
Density: 1.515g/cm3
Melting Point: 270-272°C
PSA: 61.10000
LogP: 2.24300
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Chemistry

Molecule structure of 6-Chloro-1,2-benzisothiazol-3(2H)-one (CAS NO.70-10-0):

IUPAC Name: 6-Chloro-1,2-benzothiazol-3-one 
Molecular Weight: 185.63076 [g/mol]
Molecular Formula: C7H4ClNOS 
Index of Refraction: 1.669
Molar Refractivity: 45.73 cm3
Molar Volume: 122.4 cm3
Surface Tension: 56.1 dyne/cm
Density: 1.515 g/cm3 
Melting Point: 270-272 °C
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 184.970212
MonoIsotopic Mass: 184.970212
Topological Polar Surface Area: 29.1
Heavy Atom Count: 11
Canonical SMILES: C1=CC2=C(C=C1Cl)SNC2=O
InChI: InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
InChIKey: POPOYOKQQAEISW-UHFFFAOYSA-N
Product Categories: Heterocyclic Compounds; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4600mg/kg (4600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 1306, 1964.
rat LD50 oral > 4300mg/kg (4300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 1306, 1964.

Specification

 6-Chloro-1,2-benzisothiazol-3(2H)-one (CAS NO.70-10-0) is also named as Fer 1443 ; 6-Chloro-1,2-benzisothiazolin-3-one ; 6-Chloro-1,2-benzisothiazolone ; FER-1443 ; Landromil ; Ticlatona ; Ticlatona [INN-Spanish] ; Ticlatone ; Ticlatonum ; Ticlatonum [INN-Latin] ; 1,2-Benzisothiazol-3(2H)-one, 6-chloro- ; 1,2-Benzisothiazolin-3-one, 6-chloro- . 6-Chloro-1,2-benzisothiazol-3(2H)-one (CAS NO.70-10-0) is off-white to light beige solid.