6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

Modify Date: 2025-08-24 23:20:14

6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide Structure
6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide structure
Common Name 6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
CAS Number 22952-24-5 Molecular Weight 228.182
Density 1.8±0.1 g/cm3 Boiling Point N/A
Molecular Formula C7H4N2O5S Melting Point 205-207ºC
MSDS N/A Flash Point N/A

 Names

Name 6-nitro-1,1-dioxo-1,2-benzothiazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Melting Point 205-207ºC
Molecular Formula C7H4N2O5S
Molecular Weight 228.182
Exact Mass 227.984085
PSA 117.44000
LogP 0.64
Index of Refraction 1.663
InChIKey HZZFBUZSKAVIOV-UHFFFAOYSA-N
SMILES O=C1NS(=O)(=O)c2cc([N+](=O)[O-])ccc21

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
CAS number:22952-24-5

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C7H4N2O5S
Molecular weight:228.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi

 Synthetic Route

 Bioassay

View more

Name: Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by...
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3241548
Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
Name: Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli b...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3241555
Name: Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by...
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3241554
Name: Selectivity ratio of Ki for human recombinant carbonic anhydrase 1 to Ki for human re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3241557
Name: Selectivity ratio of Ki for human recombinant carbonic anhydrase 2 to Ki for human re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3241558
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: Selectivity ratio of Ki for human recombinant carbonic anhydrase 2 to Ki for human re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3241567
Name: Selectivity ratio of Ki for human recombinant carbonic anhydrase 1 to Ki for human re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3241566
Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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 Synonyms

6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
1,2-Benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide
6-Nitro-1,2-benzisothiazol-3-one-1,1-dioxide
6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
6-nitro-2,3-dihydro-1H-1λ-benzo[d]isothiazole-1,1,3-trione
1,2-Benzisothiazolin-3-one,6-nitro-,1,1-dioxide
6-Nitrosaccharin
6-nitro-1,2-benzothiazol-3-one 1,1-dioxide
6-Nitro-1,2-benzothiazol-3(2H)-one 1,1-dioxide
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