Basic information
- CAS
96-59-3- Standard SMILES
CC(C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
KFKCKBPFUJOIQG-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O4S
- Average molar mass
- 278.71 g/mol
- Monoisotopic mass
- 278.01280551
Names & identifiers
- Preferred name
- 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide
- IUPAC
- 4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide
- English name
- 4-chloro-N-isopropyl-3-nitrobenzenesulphonamide
- Molecular formula
- C9H11ClN2O4S
- Molecular weight
- 278.71264
Names & synonyms
96-59-34-chloro-n-isopropyl-3-nitrobenzenesulfonamideBenzenesulfonamide, 4-chloro-N-(1-methylethyl)-3-nitro-4-Chloro-N-isopropyl-3-nitrobenzenesulphonamide4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide5YEQ66NN92EINECS 202-518-4NSC 166880NSC-166880Benzenesulfonamide, 4-chloro-N-isopropyl-3-nitro-DTXSID30591354-chloro-n-(1-methylethyl)-3-nitrobenzenesulfonamide
Show more names
4-chloro-3-nitro-N-propan-2-yl-benzenesulfonamide4-chloro-3-nitro-benzenesulfonic acid isopropylamide4-Chloro-3-nitro-N-(propan-2-yl)benzene-1-sulfonamide
4-CHLORO-3-NITRO-N-PROPAN-2-YLBENZENESULPHONAMIDEBENZENESULPHONAMIDE, 4-CHLORO-N-ISOPROPYL-3-NITRO-4-CHLORO-N-(1-METHYLETHYL)-3-NITROBENZENESULPHONAMIDEBENZENESULPHONAMIDE, 4-CHLORO-N-(1-METHYLETHYL)-3-NITRO-RefChem:521886DTXCID4048985Benzenesulfonamide, 4-chloro-N-isopropyl-3-nitro-(8CI)202-518-4
Database identifiers
- CAS
96-59-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- FDA UNII
- 5 YEQ66NN92 · 5YEQ66NN92
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-chloro-N-(1-methylethyl)-3-nitro- (96-59-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-chloro-N-(1-methylethyl)-3-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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