2-(4-(Fluorosulfonyl)phenyl)acetic acid
Basic information
- CAS
402-57-3- Standard SMILES
O=C(O)Cc1ccc(S(=O)(=O)F)cc1- InChIKey
VARMWPGASRMINF-UHFFFAOYSA-N- Molecular formula
- C8H7FO4S
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.00490804
Names & identifiers
- Preferred name
- 2-(4-(Fluorosulfonyl)phenyl)acetic acid
- IUPAC
- 2-(4-fluorosulfonylphenyl)acetic acid
- English name
- Benzeneacetic acid,4-(fluorosulfonyl)-
- Molecular formula
- C8H7FO4S
- Molecular weight
- 218.2021832
Names & synonyms
2-[4-(fluorosulfonyl)phenyl]acetic acid2-(4-(Fluorosulfonyl)phenyl)acetic acidRefChem:456507817-562-5402-57-32-(4-fluorosulfonylphenyl)acetic acidMFCD244830064-Fluorosulfonylphenylacetic acidNSC2108372-[4-Fluorosulfonyl)phenyl]acetic AcidSCHEMBL6704542DTXSID10309031
Show more names
VARMWPGASRMINF-UHFFFAOYSA-NBenzeneacetic acid,4-(fluorosulfonyl)-
RMA-442[4-(Fluorosulfonyl)phenyl]acetic acidAKOS037656039NSC-210837VS-00372-[4-(fluorosulfonyl)phenyl]aceticacidNCGC00664770-01SY203840
Database identifiers
- CAS
402-57-3- PubChem CID
- 308772
- DTXSID
DTXSID10309031- EC Number
- 817-562-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
LogP1.86
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-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, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Applications
Uses2-[4-(fluorosulfonyl)phenyl]acetic Acid is a useful reagent in the preparation of arenesulfonic acid derivatives.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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