3H-2,1-Benzoxathiole 1,1-dioxide
Basic information
- CAS
4430-23-3- Standard SMILES
O=S1(=O)OCc2ccccc21- InChIKey
SDJPPXJZWJEAPT-UHFFFAOYSA-N- Molecular formula
- C7H6O3S
- Average molar mass
- 170.19 g/mol
- Monoisotopic mass
- 170.00376522
Names & identifiers
- Preferred name
- 3H-2,1-Benzoxathiole 1,1-dioxide
- IUPAC
- 3H-2,1λ6-benzoxathiole 1,1-dioxide
- English name
- 3H-2,1-benzoxathiole 1,1-dioxide
- Molecular formula
- C7H6O3S
- Molecular weight
- 170.19
Names & synonyms
3H-2,1-Benzoxathiole 1,1-dioxide4430-23-3EINECS 224-620-8DTXSID00196114NSC 50795RefChem:505613DTXCID10118605224-620-83H-2,1lambda6-benzoxathiole-1,1-dione3H-2,1lambda6-benzoxathiole 1,1-dioxide3H-Benzo[c][1,2]oxathiole 1,1-dioxideK87MM28BH9
Show more names
1,1-DIOXIDE-3H-2,1-BENZOXATHIOLE3H-benzo[c]oxathiole 1,1-dioxideALPHA-HYDROXY-O-TOLUENESULFONIC ACID GAMMA-SULTONE1,1-Dioxide-3H-2,1-benzoxathiole1,1-dioxide-3H-2,1-benzoxathiole1,1-dioxide-3H-2,1-benzoxathiole
NSC-50795NSC50795UNII-K87MM28BH9SCHEMBL5485315SCHEMBL5485319SCHEMBL5485323CHEMBL2006719SDJPPXJZWJEAPT-UHFFFAOYSA-N
Database identifiers
- CAS
4430-23-3- PubChem CID
- 78157
- DTXSID
DTXSID00196114- ChEMBL
CHEMBL2006719- UNII
- K87MM28BH9
- EC Number
- 224-620-8
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- FDA UNII
- 87 MM28BH9 · K87MM28BH9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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