4-Chloro-3-methanesulfonylbenzene-1-sulfonamide
Basic information
- CAS
1354950-54-1- Standard SMILES
CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1Cl- InChIKey
NTBLRACTVZZVLP-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO4S2
- Average molar mass
- 269.7 g/mol
- Monoisotopic mass
- 268.9583278
Names & identifiers
- Preferred name
- 4-Chloro-3-methanesulfonylbenzene-1-sulfonamide
- IUPAC
- 4-chloro-3-methylsulfonylbenzenesulfonamide
- English name
- 4-chloro-3-methanesulfonylbenzene-1-sulfonamide
- Molecular formula
- C7H8ClNO4S2
- Molecular weight
- 269.73
Names & synonyms
4-chloro-3-methanesulfonylbenzene-1-sulfonamide1354950-54-1RefChem:521322996-134-04-chloro-3-methylsulfonylbenzenesulfonamideEEC95054CS-0264917EN300-95328Benzenesulfonamide, 4-chloro-3-(methylsulfonyl)-
Database identifiers
- CAS
1354950-54-1- PubChem CID
- 54596107
- EC Number
- 996-134-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 534.9 · 534.9±60.0 °C(Predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Predicted)
- pka
- 9.34 · 9.34±0.60(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.
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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