Basic information
- CAS
6972-44-7- Standard SMILES
O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)F)c1- InChIKey
NVKOTYRAFOFHGL-UHFFFAOYSA-N- Molecular formula
- C8H5FO6S
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 247.97908721
Names & identifiers
- Preferred name
- 3,5-Dicarboxybenzenesulfonyl fluoride
- IUPAC
- 5-fluorosulfonylbenzene-1,3-dicarboxylic acid
- English name
- 5-FLUOROSULFONYL-ISOPHTHALIC ACID
- Molecular formula
- C8H5FO6S
- Molecular weight
- 248.1879
Names & synonyms
3,5-DICARBOXYBENZENESULFONYL FLUORIDERefChem:486681654-709-06972-44-75-(fluorosulfonyl)isophthalic acid5-fluorosulfonylbenzene-1,3-dicarboxylic acid5-(FLUOROSULFONYL)BENZENE-1,3-DICARBOXYLIC ACIDNSC61994starbld0016501DTXSID00289575NSC-61994AKOS024332242
Show more names
NVKOTYRAFOFHGL-UHFFFAOYSA-N
DB-031088EN300-726874
Database identifiers
- CAS
6972-44-7- PubChem CID
- 247458
- DTXSID
DTXSID00289575- EC Number
- 654-709-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H317-H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H317-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
ASDI-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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