Basic information
- CAS
124397-36-0- Standard SMILES
COC(=O)c1cccc(S(=O)(=O)F)c1- InChIKey
JEGFLTZACMZIDD-UHFFFAOYSA-N- Molecular formula
- C8H7FO4S
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.00490804
Names & identifiers
- Preferred name
- Methyl 3-(fluorosulfonyl)benzoate
- IUPAC
- methyl 3-fluorosulfonylbenzoate
- English name
- Benzoic acid, 3-(fluorosulfonyl)-, methyl ester
- Molecular formula
- C8H7FO4S
- Molecular weight
- 218.2
Names & synonyms
methyl 3-(fluorosulfonyl)benzoate124397-36-0methyl 3-fluorosulfonylbenzoateMFCD22192516methyl3-(fluorosulfonyl)benzoateNSC857403-SO2F-C6H4-COOCH3NSC-85740BS-525653-Fluorosulfonyl-benzoic acid methyl esterE74726EN300-224339
Show more names
Benzoic acid, 3-(fluorosulfonyl)-, methyl esterF781044Z2922273313
Database identifiers
- CAS
124397-36-0- PubChem CID
- 257589
- EC Number
- 880-184-4
- Nikkaji
- J461.271J
Properties
Computed structural properties
- XLogP
- 2
- 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
- 306
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 304.2 · 304.2±25.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- 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
Chemistry & industry
Suppliers14 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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