6-Chlorosaccharin
Basic information
- CAS
46149-10-4- Standard SMILES
O=C1NS(=O)(=O)c2cc(Cl)ccc21- InChIKey
QQRRMRLXOFZGIB-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO3S
- Average molar mass
- 217.63 g/mol
- Monoisotopic mass
- 216.96004167
Names & identifiers
- Preferred name
- 6-Chlorosaccharin
- IUPAC
- 6-chloro-1,1-dioxo-1,2-benzothiazol-3-one
- English name
- 6-Chloro-1,1-dioxo-1,2-dihydro-1-benzo[d]isothiazol-3-one
- Molecular formula
- C7H4ClNO3S
- Molecular weight
- 217.63
Names & synonyms
46149-10-46-Chlorosaccharin6-Chloro-1,2-benzisothiazol-3(2H)-one 1,1-dioxideUNII-L9LE5955CTL9LE5955CT1,2-Benzisothiazol-3(2H)-one, 6-chloro-, 1,1-dioxideNSC 372519NSC-372519DTXSID501967406-CHLORO-1,2-BENZISOTHIAZOL-3-ONE 1,1-DIOXIDE1,2-BENZISOTHIAZOLIN-3-ONE, 6-CHLORO-, 1,1-DIOXIDE6-CHLORO-1,1-DIOXO-1,2-DIHYDRO-2H-BENZO(D)ISOTHIAZOL-3-ONE
Show more names
RARECHEM AM UH V1816-chloro-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
RefChem:104458DTXCID901192316-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide6-chloro-1,1-dioxo-1,2-benzothiazol-3-one6-Chloro-1,1-dioxo-1,2-dihydro-1-benzo[d]isothiazol-3-oneMFCD03789732NSC3725196-chloro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Database identifiers
- CAS
46149-10-4- PubChem CID
- 100807
- DTXSID
DTXSID50196740- UNII
- L9LE5955CT
- EC Number
- 675-632-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- FDA UNII
- 9 LE5955CT · L9LE5955CT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332
- Precautionary statements
- 261 · P261-P271-P304+P340+P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332
- Precautionary statements
- P261-P271-P304+P340+P312
Suppliers
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Related reactions
2 records
Compound notes
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