2,5-Dimethylbenzenesulfonamide
Basic information
- CAS
6292-58-6- Standard SMILES
Cc1ccc(C)c(S(N)(=O)=O)c1- InChIKey
STZQAGJQPZCAED-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.05104959
Names & identifiers
- Preferred name
- 2,5-Dimethylbenzenesulfonamide
- IUPAC
- 2,5-dimethylbenzenesulfonamide
- English name
- Benzenesulfonamide, 2,5-dimethyl- (9CI)
- Molecular formula
- C8H11NO2S
- Molecular weight
- 185.24
Names & synonyms
2,5-dimethylbenzenesulfonamide2,5-dimethylbenzene-1-sulfonamideDTXSID10278753RefChem:444568DTXCID30229909101-907-56292-58-62,5-Dimethyl-benzenesulfonamideBenzenesulfonamide, 2,5-dimethyl- (9CI)MFCD000864772,5-XylenesulfonamideBenzenesulfonamide,2,4-dimethyl-
Show more names
2,5-dimethylbenzenesulfphonamide
F0808-2049Benzenesulfonamide,2,5-dimethyl-p-XylolsulfamidNSC9910p-2-xylenesulfonamideSCHEMBL1299059SCHEMBL1299062CHEMBL4538987
Database identifiers
- CAS
6292-58-6- PubChem CID
- 222871
- DTXSID
DTXSID10278753- ChEMBL
CHEMBL4538987- EC Number
- 101-907-5
- Nikkaji
- J1.226.918H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 145.5 · 145.5-146 °C
- Boiling point
- 349.4 · 349.4±52.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 10.26 · 10.26±0.60(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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