3-Nitrobenzenesulfonamide - CAS 121-52-8
Catalog: |
BB005200 |
Product Name: |
3-Nitrobenzenesulfonamide |
CAS: |
121-52-8 |
Synonyms: |
3-nitrobenzenesulfonamide |
IUPAC Name: | 3-nitrobenzenesulfonamide |
Description: | 3-Nitrobenzenesulfonamide (CAS# 121-52-8) is a useful research chemical compound. |
Molecular Weight: | 202.19 |
Molecular Formula: | C6H6N2O4S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12) |
InChI Key: | TXTQURPQLVHJRE-UHFFFAOYSA-N |
Boiling Point: | 407.7 °C |
Melting Point: | 166-168 °C |
Purity: | 95 % |
Density: | 1.552 g/cm3 |
Appearance: | White to off-white powder, crystals |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00007935 |
LogP: | 2.54650 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021112189-A1 | Curable resin composition, cured film, laminate, method for producing cured film, semiconductor device, and resin | 20191205 |
WO-2021097054-A1 | 6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficient cftr activity | 20191112 |
WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
WO-2021085072-A1 | Pattern forming method, photosensitive resin composition, layered body manufacturing method, and semiconductor device manufacturing method | 20191028 |
WO-2021075305-A1 | Negative curable composition, cured film, laminate, method for manufacturing cured film, and semiconductor device | 20191018 |
PMID | Publication Date | Title | Journal |
22346916 | 20120201 | N-(2-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22347137 | 20120201 | N-(2-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22259526 | 20120101 | N-(3-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22199984 | 20111201 | N-Benzoyl-3-nitro-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
21130650 | 20110101 | Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II) | Bioorganic & medicinal chemistry letters |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.00482785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.00482785 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 114 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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