Methyl 4-(fluorosulfonyl)benzoate
Basic information
- CAS
124397-38-2- Standard SMILES
COC(=O)c1ccc(S(=O)(=O)F)cc1- InChIKey
ZHXUKAUTLJXSJX-UHFFFAOYSA-N- Molecular formula
- C8H7FO4S
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.00490804
Names & identifiers
- Preferred name
- Methyl 4-(fluorosulfonyl)benzoate
- IUPAC
- methyl 4-fluorosulfonylbenzoate
Names & synonyms
methyl 4-(fluorosulfonyl)benzoate124397-38-2DTXSID401300025RefChem:816040DTXCID001730153985-331-7methyl 4-fluorosulfonylbenzoate4-SO2F-C6H4-COOCH3methyl4-(fluorosulfonyl)benzoateSCHEMBL257714404-Fluorosulfonyl-benzoic acid methyl esterEN300-224342
Show more names
G33496Z2216274989
Database identifiers
- CAS
124397-38-2- PubChem CID
- 6432030
- DTXSID
DTXSID401300025- EC Number
- 985-331-7
- Nikkaji
- J461.275B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…