Basic information
- CAS
27824-67-5- Standard SMILES
Cc1ccc(S(=O)(=O)N(Cl)Br)cc1- InChIKey
WIMFSKFEWFIBHJ-UHFFFAOYSA-N- Molecular formula
- C7H7BrClNO2S
- Average molar mass
- 284.56 g/mol
Names & identifiers
- Preferred name
- N-Chlor-N-brom-p-toluolsulfonamid
- IUPAC
- N-bromo-N-chloro-4-methylbenzenesulfonamide
- English name
- N-Bromo-N-chloro-4-methylbenzenesulfonamide
- Molecular formula
- C7H7BrClNO2S
- Molecular weight
- 284.56
Names & synonyms
N-Chlor- N-brom-p-toluolsulfonamidChlorbromamine TN-Bromo-N-chloro-p-toluenesulfonamideN-Bromo-N-chloro-4-methylbenzenesulfonamideBenzenesulfonamide, N-bromo-N-chloro-4-methyl-
Database identifiers
- CAS
27824-67-5- Nikkaji
- J227.781F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 345.7 · 345.7±35.0 °C(Predicted)
- Density
- 1.747 · 1.747±0.06 g/cm3(Predicted)
- pka
- -27.61 · -27.61±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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