4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
Basic information
- CAS
10589-64-7- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
CNZQESBPARGYEP-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O4S
- Average molar mass
- 326.76 g/mol
- Monoisotopic mass
- 326.0128057
Names & identifiers
- Preferred name
- 4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
- IUPAC
- 4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
- English name
- 4-Chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
- Molecular formula
- C13H11ClN2O4S
- Molecular weight
- 326.76
Names & synonyms
4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide10589-64-7DTXSID10394104RefChem:292022DTXCID30344964665-411-5CHEMBL2285851CNZQESBPARGYEP-UHFFFAOYSA-NSTL368615AKOS0029636814-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide4-Chloro-N-(2-methyl-4-nitrophenyl)benzene-1-sulfonamide
Show more names
Benzenesulfonamide, 4-chloro-N-(2-methyl-4-nitrophenyl)-
Database identifiers
- CAS
10589-64-7- PubChem CID
- 3606565
- DTXSID
DTXSID10394104- ChEMBL
CHEMBL2285851- EC Number
- 665-411-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 172 · 172-174 °C
- Boiling point
- 491.6 · 491.6±55.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- pka
- 6.07 · 6.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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