3-Bromo-N-isopropylbenzenesulfonamide
Basic information
- CAS
871269-08-8- Standard SMILES
CC(C)NS(=O)(=O)c1cccc(Br)c1- InChIKey
YEZCGZSKQXNVDX-UHFFFAOYSA-N- Molecular formula
- C9H12BrNO2S
- Average molar mass
- 278.17 g/mol
- Monoisotopic mass
- 276.97721
Names & identifiers
- Preferred name
- 3-Bromo-N-isopropylbenzenesulfonamide
- IUPAC
- 3-bromo-N-propan-2-ylbenzenesulfonamide
- English name
- 3-BROMO-N-ISOPROPYLBENZENESULPHONAMIDE
- Molecular formula
- C9H12BrNO2S
- Molecular weight
- 278.17
Names & synonyms
3-Bromo-N-isopropylbenzenesulfonamide871269-08-8N-Isopropyl 3-bromobenzenesulfonamide3-bromo-N-propan-2-ylbenzenesulfonamideMFCD073638203-Bromo-N-isopropylbenzenesulphonamideSCHEMBL265556DTXSID104284333-bromo-n-isopropyl-benzenesulfonamideAKOS008939118AB30834BS-25862
Show more names
N-Isopropyl 3-bromophenylsulfonamide3-Bromo-N-isopropylbenzenesulphonamide98%3-Bromo-N-isopropylbenzenesulphonamide 98%Benzenesulfonamide, 3-bromo-N-(1-methylethyl)-3-BROMO-N-ISOPROPYLBENZENESULPHONAMIDE USP/EP/BP
CS-0456742F800243-BROMO-N-(PROPAN-2-YL)BENZENE-1-SULFONAMIDE
Database identifiers
- CAS
871269-08-8- PubChem CID
- 7213271
- DTXSID
DTXSID10428433
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 52 · 52-56
- Boiling point
- 359.1 · 359.1±44.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.25 · 11.25±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- 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_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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