4-(Fluorosulfonyl)-3-methylbenzoic acid
Basic information
- CAS
33866-06-7- Standard SMILES
Cc1cc(C(=O)O)ccc1S(=O)(=O)F- InChIKey
WSOAEHMAYVHGNK-UHFFFAOYSA-N- Molecular formula
- C8H7FO4S
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.00490804
Names & identifiers
- Preferred name
- 4-(Fluorosulfonyl)-3-methylbenzoic acid
- IUPAC
- 4-fluorosulfonyl-3-methylbenzoic acid
- English name
- Benzoic acid, 4-(fluorosulfonyl)-3-methyl-
- Molecular formula
- C8H7FO4S
- Molecular weight
- 218.2
Names & synonyms
4-(FLUOROSULFONYL)-3-METHYLBENZOIC ACID33866-06-7NSC210241MFCD244880484-fluorosulfonyl-3-methyl-benzoic acid4-fluorosulfonyl-3-methylbenzoic acidSCHEMBL27589469DTXSID20308838NSC-210241DS-0150134-(FLUOROSULFONYL)-3-METHYLBENZOICACIDE84880
Show more names
Benzoic acid, 4-(fluorosulfonyl)-3-methyl-
EN300-703177F852326
Database identifiers
- CAS
33866-06-7- PubChem CID
- 308442
- DTXSID
DTXSID20308838
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 319
Physicochemical properties
- Boiling point
- 346.4 · 346.4±35.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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