Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-
Basic information
- CAS
14653-91-9- Standard SMILES
Cc1ccc(S(=O)(=O)NS(C)(=O)=O)cc1- InChIKey
UOPITUDDUGJACT-UHFFFAOYSA-N- Molecular formula
- C8H11NO4S2
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.01295018
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-
- IUPAC
- 4-methyl-N-methylsulfonylbenzenesulfonamide
- English name
- Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-
- Molecular formula
- C8H11NO4S2
- Molecular weight
- 249.31
Names & synonyms
Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-4-methyl-N-(methylsulfonyl)benzenesulfonamideDTXSID5065803EC 415-040-8RefChem:117730DTXCID1034769415-040-8686-583-814653-91-94-methyl-N-methylsulfonylbenzenesulfonamideSCHEMBL741064UOPITUDDUGJACT-UHFFFAOYSA-N
Show more names
N-Methylsulfonyl-p-toluenesulfonamideN-METHANESULFONYL-P-TOLUENESULFONAMIDE)
AKOS024331527DB-285504NS00005842ST50544416N-[(4-methylphenyl)sulfonyl]methanesulfonamideN-(Methanesulfonyl)-4-methylbenzene-1-sulfonamide
Database identifiers
- CAS
14653-91-9- PubChem CID
- 84575
- DTXSID
DTXSID5065803- EC Number
- 415-040-8、686-583-8
- Nikkaji
- J421.923F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 406.3 · 406.3±38.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 0.33 · 0.33±0.40(Predicted)
- EWG's Food Scores
- 1 · 1-2
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)- (14653-91-9)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37-41
- Safety Statements
- 26 · 26-39
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4-methyl-N-(methylsulfonyl)benzenesulfonamide (EC: 415-040-8)
Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-: 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.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- tsca
- TSCA listed
- risk_code
- 22-37-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard statements
- H302-H318-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-methyl-N-(methylsulfonyl)-: INACTIVE
Suppliers
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Compound notes
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