2-Chlorobenzenesulfonamide - CAS 6961-82-6
Catalog: |
BB033896 |
Product Name: |
2-Chlorobenzenesulfonamide |
CAS: |
6961-82-6 |
Synonyms: |
2-chlorobenzenesulfonamide |
IUPAC Name: | 2-chlorobenzenesulfonamide |
Description: | 2-Chlorobenzenesulfonamide (CAS# 6961-82-6) is a useful research chemical. |
Molecular Weight: | 191.64 |
Molecular Formula: | C6H6ClNO2S |
Canonical SMILES: | C1=CC=C(C(=C1)S(=O)(=O)N)Cl |
InChI: | InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10) |
InChI Key: | JCCBZCMSYUSCFM-UHFFFAOYSA-N |
Boiling Point: | 352.9 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
MDL: | MFCD00051974 |
LogP: | 2.76850 |
GHS Hazard Statement: | H315 (91.2%): 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 |
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PMID | Publication Date | Title | Journal |
22058909 | 20110901 | N,N'-(Ethane-1,2-di-yl)bis-(4-chloro-benzene-sulfonamide) | Acta crystallographica. Section E, Structure reports online |
21754785 | 20110601 | N-(2-Chloro-phenyl-sulfon-yl)-2,2-dimethyl-propanamide | Acta crystallographica. Section E, Structure reports online |
21754417 | 20110501 | N-(2-Chloro-phenyl-sulfon-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
21754120 | 20110401 | N,N'-Bis(2-chloro-phenyl-sulfon-yl)adipamide | Acta crystallographica. Section E, Structure reports online |
21754161 | 20110401 | N,N'-Bis(2-chloro-phenyl-sulfon-yl)suberamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9807773 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9807773 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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