Basic information
- CAS
108227-53-8- Standard SMILES
CCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1- InChIKey
UMSNAWAFKANFKL-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.08307817
Names & identifiers
- Preferred name
- N-butyl-4-methyl-3-nitrobenzenesulfonamide
- IUPAC
- N-butyl-4-methyl-3-nitrobenzenesulfonamide
- English name
- N-Butyl-4-Methyl-3-nitrobenzenesulfonaMide
- Molecular formula
- C11H16N2O4S
- Molecular weight
- 272.32
Names & synonyms
N-butyl-4-methyl-3-nitrobenzenesulfonamide108227-53-8N-butyl-4-methyl-3-nitrobenzene-1-sulfonamideCBDivE_015284SCHEMBL9735536DTXSID901266244MFCD00577535STK055461AKOS003265415SB81485BS-26390N-butyl-4-methyl-3-nitro-benzenesulfonamide
Show more names
Benzenesulfonamide, N-butyl-4-methyl-3-nitro-
ST50703369butyl[(4-methyl-3-nitrophenyl)sulfonyl]amineSR-01000200578SR-01000200578-1
Database identifiers
- CAS
108227-53-8- PubChem CID
- 2836737
- DTXSID
DTXSID901266244
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 403.3 · 403.3±55.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.50(Predicted)
- 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
Suppliers2 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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