Basic information
- CAS
2280-49-1- Standard SMILES
O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1- InChIKey
CAXJFBOSFXRPOJ-UHFFFAOYSA-N- Molecular formula
- C13H10Cl3NO2S2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 380.921854
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]-
- IUPAC
- N-phenyl-N-(trichloromethylsulfanyl)benzenesulfonamide
- English name
- N-Phenyl-N-((trichloromethyl)thio)benzenesulfonamide
- Molecular formula
- C13H10Cl3NO2S2
- Molecular weight
- 382.71
Names & synonyms
Show more names
Database identifiers
- CAS
2280-49-1- PubChem CID
- 75290
- DTXSID
DTXSID4062303- UNII
- 5F5KP6YG2K
- EC Number
- 218-915-0
- Nikkaji
- J76.371C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 421.7 · 421.7±55.0 °C(Predicted)
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- pka
- -6.96 · -6.96±0.50(Predicted)
- Water Solubility
- 50 μg/L · 50μg/L at 20℃
- LogP
- 4.7 at · 4.7 at 25℃
- FDA UNII
- 5 F5KP6YG2K · 5F5KP6YG2K
- EPA Substance Registry System
- Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]- (2280-49-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (3 of 15) of reports.
Warning
H317 (80%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]-
Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N-phenyl-N-[(trichloromethyl)thio]benzenesulphonamide (EC: 218-915-0)
Benzenesulfonamide, N-phenyl-N-(trichloromethyl)thio-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Synthetic Rubber Manufacturing
Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]-: ACTIVE
Applications
UsesN-Phenyl-N-((trichloromethyl)-thio)benzenesulfonamide is a useful research chemical compound used in with selenium dioxide in the preparation of electrically conductive organic solids.
Suppliers65 total
Related reactions
No reaction records under the current filter.
Compound notes
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