3,4-difluoro-N-methylbenzene-1-sulfonamide
Basic information
- CAS
888697-77-6- Standard SMILES
CNS(=O)(=O)c1ccc(F)c(F)c1- InChIKey
JPCRKIRQKGTNOH-UHFFFAOYSA-N- Molecular formula
- C7H7F2NO2S
- Average molar mass
- 207.2 g/mol
- Monoisotopic mass
- 207.01655596
Names & identifiers
- Preferred name
- 3,4-difluoro-N-methylbenzene-1-sulfonamide
- IUPAC
- 3,4-difluoro-N-methylbenzenesulfonamide
- English name
- 3,4-difluoro-N-methylbenzene-1-sulfonamide
- Molecular formula
- C7H7F2NO2S
- Molecular weight
- 207.2
Names & synonyms
3,4-difluoro-N-methylbenzene-1-sulfonamide888697-77-63,4-difluoro-N-methylbenzenesulfonamideSCHEMBL425487JPCRKIRQKGTNOH-UHFFFAOYSA-NNKB69777MFCD06042348AKOS0012931503,4-Difluoro-N-methyl-benzenesulfonamideCS-0258854EN300-71616F94701
Show more names
Benzenesulfonamide, 3,4-difluoro-N-methyl-
F670866Z45527670
Database identifiers
- CAS
888697-77-6- PubChem CID
- 8467985
- EC Number
- 113-210-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 285 · 285.0±50.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- pka
- 10.85 · 10.85±0.50(Predicted)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
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Related reactions
4 records
Compound notes
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