3-Chloro-4-(fluorosulfonyl)benzoic acid
Basic information
- CAS
33866-05-6- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)F)c(Cl)c1- InChIKey
JGXQPRQNKIOTQF-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO4S
- Average molar mass
- 238.62 g/mol
- Monoisotopic mass
- 237.9502856
Names & identifiers
- Preferred name
- 3-Chloro-4-(fluorosulfonyl)benzoic acid
- IUPAC
- 3-chloro-4-fluorosulfonylbenzoic acid
- English name
- Benzoicacid, 3-chloro-4-(fluorosulfonyl)-
- Molecular formula
- C7H4ClFO4S
- Molecular weight
- 238.6206632
Names & synonyms
3-CHLORO-4-(FLUOROSULFONYL)BENZOIC ACIDRefChem:499913851-853-833866-05-6Benzoicacid, 3-chloro-4-(fluorosulfonyl)-3-chloro-4-fluorosulfonylbenzoic acidMFCD28968669NSC210249DTXSID90308845AKOS0376560313-chloro-4-fluorosulfonyl-benzoic acidNSC-210249
Show more names
VS-0016NCGC00664750-01SY204421DS-0104773-CHLORO-4-(FLUOROSULFONYL)BENZOICACIDEN300-224320F75888F867506
Database identifiers
- CAS
33866-05-6- PubChem CID
- 308450
- DTXSID
DTXSID90308845- EC Number
- 851-853-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314
- Precautionary statements
- 260 · P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H314
- Precautionary statements
- P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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