4-fluoro-N,N-dimethylbenzenesulfonamide
Basic information
- CAS
383-31-3- Standard SMILES
CN(C)S(=O)(=O)c1ccc(F)cc1- InChIKey
WURMPFYVFDHATI-UHFFFAOYSA-N- Molecular formula
- C8H10FNO2S
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.0416279
Names & identifiers
- Preferred name
- 4-fluoro-N,N-dimethylbenzenesulfonamide
- IUPAC
- 4-fluoro-N,N-dimethylbenzenesulfonamide
- English name
- 4-Fluoro-N,N-dimethylbenzenesulfonamide
- Molecular formula
- C8H10FNO2S
- Molecular weight
- 203.23
Names & synonyms
4-fluoro-N,N-dimethylbenzenesulfonamide383-31-3DTXSID20355403RefChem:1070677DTXCID50306463N,N-Dimethyl 4-fluorobenzenesulfonamideMFCD012119904-Fluoro-N,N-dimethyl-benzenesulfonamideSCHEMBL6427874-fluoro-N,N-dimethylbenzene-1-sulfonamideSTK078373AKOS003265996
Show more names
Benzenesulfonamide, 4-fluoro-N,N-dimethyl-
SB77509DS-17680AM86923SY0966N,N-dimethyl4-fluorobenzenesulfonamide[(4-fluorophenyl)sulfonyl]dimethylamineSY0966634-fluoro-N,N-dimethyl-benzene sulfonamide
Database identifiers
- CAS
383-31-3- PubChem CID
- 799301
- DTXSID
DTXSID20355403- Nikkaji
- J3.311.066I
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 250
Physicochemical properties
- Boiling point
- 279.6 · 279.6±42.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -4.87 · -4.87±0.70(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H10FNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
- InChIKey
- WURMPFYVFDHATI-UHFFFAOYSA-N
- SMILES
- C1(S(N(C)C)(=O)=O)=CC=C(F)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2935909099 · 2935909099
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
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
20 records
Compound notes
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