4-Bromo-N,N-diethylbenzenesulphonamide
Basic information
- CAS
90944-62-0- Standard SMILES
CCN(CC)S(=O)(=O)c1ccc(Br)cc1- InChIKey
NRGTZJXYAAGKQJ-UHFFFAOYSA-N- Molecular formula
- C10H14BrNO2S
- Average molar mass
- 292.19 g/mol
- Monoisotopic mass
- 290.99286179
Names & identifiers
- Preferred name
- 4-Bromo-N,N-diethylbenzenesulphonamide
- IUPAC
- 4-bromo-N,N-diethylbenzenesulfonamide
- English name
- 4-Bromo-N,N-diethylbenzenesulphonamide
- Molecular formula
- C10H14BrNO2S
- Molecular weight
- 292.19
Names & synonyms
4-Bromo-N,N-diethylbenzenesulphonamideRefChem:520398695-890-690944-62-04-bromo-N,N-diethylbenzenesulfonamideN,N-Diethyl 4-bromobenzenesulfonamideN,N-Diethyl-4-bromobenzenesulfonamideMFCD005875864-BROMO-N,N-DIETHYLBENZENE-1-SULFONAMIDEEnamine_000482NSC406137SCHEMBL2932439
Show more names
Benzenesulfonamide, 4-bromo-N,N-diethyl-4-Bromo-N,N-diethylbenzenesulphonamide97%4-Bromo-N,N-diethylbenzenesulphonamide 97%4-BROMO-N,N-DIETHYLBENZENESULPHONAMIDE USP/EP/BP
DTXSID8032DTXSID80324256NRGTZJXYAAGKQJ-UHFFFAOYSA-NHMS1395F20[(4-bromophenyl)sulfonyl]diethylamineAKOS0010249214-bromo-N,N-diethyl-benzenesulfonamideAB06494
Database identifiers
- CAS
90944-62-0- PubChem CID
- 347453
- DTXSID
DTXSID80324256- EC Number
- 695-890-6
- Nikkaji
- J2.020.198C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 356.4 · 356.4±44.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -5.29 · -5.29±0.70(Predicted)
- Appearance
- Colorless to light yellow Liquid
- 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.
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, P317, 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%)
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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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