1H-2,3-Benzothiazin-4(3H)-one 2,2-dioxide
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Basic information
- CAS
21784-53-2- Standard SMILES
O=C1NS(=O)(=O)Cc2ccccc21- InChIKey
UYXCSOAMZMOWRY-UHFFFAOYSA-N- Molecular formula
- C8H7NO3S
- Average molar mass
- 197.21 g/mol
- Monoisotopic mass
- 197.01466408
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazin-4(3H)-one 2,2-dioxide
- IUPAC
- 2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
- English name
- 1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide
- Molecular formula
- C8H7NO3S
- Molecular weight
- 197.21
Names & synonyms
21784-53-21H-2,3-Benzothiazin-4(3H)-one 2,2-dioxideBRN 0514345EINECS 244-577-9DTXSID70176185RefChem:437975DTXCID1098676244-577-93,4-Dihydro-1H-2,3-benzothiazine-2,2,4-trione3,4-dihydro-1H-2lambda6,3-benzothiazine-2,2,4-trione2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one3,4-dihydro-1H-2$l^{6},3-benzothiazine-2,2,4-trione
Show more names
SCHEMBL8646922WAA78453AKOS006240240CS-0252235NS00026965EN300-59509G256041h-2,3-benzothiazin-4-(3h)-one-2,2-dioxide
Database identifiers
- CAS
21784-53-2- PubChem CID
- 89042
- DTXSID
DTXSID70176185- EC Number
- 244-577-9
- Nikkaji
- J2.015.421G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- 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
- 317
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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 (100%): 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3,4-Dihydro-1H-2,3-benzothiazine-2,2,4-trione is a photodegredation product of Bensulfuron Methyl.
Related reactions
3 records
Compound notes
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