Basic information
- CAS
81-08-3- Standard SMILES
O=C1OS(=O)(=O)c2ccccc21- InChIKey
NCYNKWQXFADUOZ-UHFFFAOYSA-N- Molecular formula
- C7H4O4S
- Average molar mass
- 184.17 g/mol
- Monoisotopic mass
- 183.98302978
Names & identifiers
- Preferred name
- 2-Sulfobenzoic acid cyclic anhydride
- IUPAC
- 1,1-dioxo-2,1λ6-benzoxathiol-3-one
- English name
- 2-Sulfobenzoic anhydride
- Molecular formula
- C7H4O4S
- Molecular weight
- 184.17
Names & synonyms
81-08-32-Sulfobenzoic acid cyclic anhydrideo-Sulfobenzoic acid anhydrideo-Sulfobenzoic anhydrideo-Sulfobenzoic acid, cyclic anhydride0SWH68IQ5WBenzoic acid, 2-sulfo-, cyclic anhydrideBenzoic acid, o-sulfo-, cyclic anhydrideRefChem:4835672-sulfobenzoic cyclic anhydride2-Sulfobenzoic anhydrideSulfobenzoic anhydride
Show more names
1,1-dioxo-2,12-Sulfobenzoic anhyd2-SulfobenzoicAnhydride>2-Sulfobenzoic Acid Anhydrade
3H-2,1-Benzoxathiol-3-one, 1,1-dioxide3H-Benzo[c][1,2]oxathiol-3-one 1,1-dioxideMFCD000058792-Sulphobenzoic anhydrideUNII-0SWH68IQ5WNSC 112082,1-Benzoxathiol-3-one-1,1-dioxide1,1-dioxo-2,1lambda6-benzoxathiol-3-one
Database identifiers
- CAS
81-08-3- PubChem CID
- 65729
- DTXSID
DTXSID4038681- UNII
- 0SWH68IQ5W
- EC Number
- 201-322-6
- Nikkaji
- J40.203F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 116 · 116-124 °C
- Boiling point
- 184 · 184-186 °C18 mm Hg(lit.)
- Density
- 1.6114 · 1.6114 (rough estimate)
- refractive index
- 1.629 · 1.6290 (estimate)
- Flash point
- 184 · 184-186°C/18mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- soluble in Toluene
- form
- Crystals or Crystalline Powder
- color
- White to beige
- Sensitive
- Moisture Sensitive
- BRN
- 139893 · 139893
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
- InChIKey
- NCYNKWQXFADUOZ-UHFFFAOYSA-N
- SMILES
- S1(=O)(=O)C2=CC=CC=C2C(=O)O1
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
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
Safety data
- F
- 21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2923
- hs_code
- 29163900
- risk_code
- 34-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- safety_code
- 22-24/25-45-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-2,1-Benzoxathiol-3-one, 1,1-dioxide: ACTIVE
Applications
UsesPolymerization inhibitor.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
9 records
Compound notes
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