3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide
Basic information
- CAS
68460-01-5- Standard SMILES
O=C1OS(=O)(=O)c2c(Br)c(Br)c(Br)c(Br)c21- InChIKey
QPGYGIVRJIICGZ-UHFFFAOYSA-N- Molecular formula
- C7Br4O4S
- Average molar mass
- 499.76 g/mol
- Monoisotopic mass
- 495.62508
Names & identifiers
- Preferred name
- 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide
- IUPAC
- 4,5,6,7-tetrabromo-1,1-dioxo-2,1λ6-benzoxathiol-3-one
- English name
- Tetrabromo-2-sulfobenzoic acid cyclic anhydride
- Molecular formula
- C7Br4O4S
- Molecular weight
- 499.75
Names & synonyms
68460-01-53H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxideEINECS 270-624-84,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-one 1,1-dioxideDTXSID90715574,5,6,7-Tetrabromo-o-sulfobenzoic anhydrideRefChem:505612DTXCID0046018270-624-8Tetrabromo-2-sulfobenzoic acid cyclic anhydrideTetrabromo-O-sulfobenzoic anhydride4,5,6,7-Tetrabromo-3H-benzo[c][1,2]oxathiol-3-one 1,1-dioxide
Show more names
TetrabroM-OSBATETRABROMO-2-SULFOBENZOIC ANHYDRIDETetrabromo-o-sulfobenzoic Anhydride >TETRABROMO-2-SULFOBENZOIC ACID CYCLIC &3,4,5,6-Tetrabromo-2-sulfobenzoic anhydrideTetrabromo-2-sulfobenzoic acid cycloanhydrideTetrabromo-O-sulfobenzoic acid cyclic anhydride
MFCD000097454,5,6,7-tetrabromo-1,1-dioxo-2,1lambda6-benzoxathiol-3-oneC7Br4O4SNS6YPK3N9Rorb2565186SCHEMBL61407124,5,6,7-Tetrabromo-2,1-benzoxathiol-3-one 1,1-dioxideHY-D0230
Database identifiers
- CAS
68460-01-5- PubChem CID
- 110335
- DTXSID
DTXSID9071557- UNII
- NS6YPK3N9R
- EC Number
- 270-624-8
- Nikkaji
- J39.160C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Melting point
- 215 · 215-220 °C
- Boiling point
- 532.2 · 532.2±50.0 °C(Predicted)
- Density
- 2.817 · 2.817±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- EPA Substance Registry System
- 3 H-2,1-Benzoxathiol-3-one, · 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide (68460-01-5)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 45 · 45-36/37/39-26-28-27
- RIDADR
- 3261 · 3261
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3261
- hs_code
- 2916.39.7900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 45-36/37/39-26-28-27
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide: INACTIVE
Applications
UsesTetrabromo-o-sulfobenzoic anhydride is a multifunctional dye. Dyes are important tools in biological experiments. They can help researchers observe and analyze cell structures, track biomolecules, evaluate cell functions, distinguish cell types, detect biomolecules, study tissue pathology and monitor microorganisms. Their applications range from basic scientific research to clinical A wide range of diagnostics. Dyes are also widely used in traditional fields such as textile dyeing, as well as in emerging fields such as functional textile processing, food pigments and dye-sensitized solar cells.
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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