p-Tolyl-N-fluoro-N-methylsulfonamide
Basic information
- CAS
88303-12-2- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)F)cc1- InChIKey
PGGWSBRXMHAXEG-UHFFFAOYSA-N- Molecular formula
- C8H10FNO2S
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.0416279
Names & identifiers
- Preferred name
- p-Tolyl-N-fluoro-N-methylsulfonamide
- IUPAC
- N-fluoro-N,4-dimethylbenzenesulfonamide
- English name
- 4-Tolyl-N-fluoro-N-methylsulphonamide
- Molecular formula
- C8H10FNO2S
- Molecular weight
- 203.23
Names & synonyms
88303-12-2p-Tolyl-N-fluoro-N-methylsulfonamideN-fluoro-N,4-dimethylbenzenesulfonamide4-Tolyl-N-fluoro-N-methylsulphonamideN-fluoro-N,4-dimethylbenzene-1-sulfonamideSCHEMBL563082DTXSID40236947SBB093129AKOS024319545N-fluoro-N-methyl-p-toluene sulfonamideN-fluoro-N,4-dimethyl-benzenesulfonamidebenzenesulfonamide, N-fluoro-N,4-dimethyl-
Show more names
4-Tolyl-N-fluoro-N-methylsulfonamideN-Fluoro-N-methyl-p-toluenesulfonamide4-Tolyl-N-fluoro-N-methylsulphonamide98%4-Tolyl-N-fluoro-N-methylsulphonamide 98%
DB-077229fluoromethyl[(4-methylphenyl)sulfonyl]amineInChI=1/C8H10FNO2S/c1-7-3-5-8(6-4-7)13(11,12)10(2)9/h3-6H,1-2H
Database identifiers
- CAS
88303-12-2- PubChem CID
- 145158
- DTXSID
DTXSID40236947- Nikkaji
- J456.244E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 34 · 34-36°C
- Boiling point
- 90 · 90/0.01mm
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- pka
- -16.79 · -16.79±0.70(Predicted)
- Hazard Codes
- T,C
- Risk Statements
- 20 · 20/21/22-34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 1759 · 1759
- Hazard Note
- Toxic
- HazardClass
- 8 · 8
- PackingGroup
- III
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
- ridadr
- 1759
- risk_code
- 20/21/22-34
- hazard_code
- T,C
- hazard_note
- Toxic
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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