3,4-Dimethoxybenzenesulfonyl chloride - CAS 23095-31-0
Catalog: |
BB017925 |
Product Name: |
3,4-Dimethoxybenzenesulfonyl chloride |
CAS: |
23095-31-0 |
Synonyms: |
3,4-dimethoxybenzenesulfonyl chloride |
IUPAC Name: | 3,4-dimethoxybenzenesulfonyl chloride |
Description: | 3,4-Dimethoxybenzenesulfonyl chloride (CAS# 23095-31-0) is used in the synthesis of aryl sulfonamides as selective carbonic anhydrase IX and XII inhibitors. |
Molecular Weight: | 236.67 |
Molecular Formula: | C8H9ClO4S |
Canonical SMILES: | COC1=C(C=C(C=C1)S(=O)(=O)Cl)OC |
InChI: | InChI=1S/C8H9ClO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3 |
InChI Key: | RSJSYCZYQNJQPY-UHFFFAOYSA-N |
Boiling Point: | 346.2 °C at 760 mmHg |
Melting Point: | 64-66 °C |
Purity: | 95 % |
Density: | 1.359 g/cm3 |
Appearance: | Off-white to beige crystalline powder |
MDL: | MFCD00051769 |
LogP: | 2.71210 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111320575-A | Pyridine-2-aryl-3-sulfonamide compound and synthesis method and application thereof | 20200408 |
WO-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2021067490-A1 | Compounds, compositions and methods for treating nash, nafld, and obesity | 20191001 |
CN-110256305-A | A kind of naphthalenesulfonamide compound, preparation method and application | 20190724 |
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PMID | Publication Date | Title | Journal |
21202719 | 20080503 | N-(3,4-Difluoro-phen-yl)-3,4-dimethoxy-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
19325793 | 20080501 | Concerted solvent processes for common sulfonyl chloride precursors used in the synthesis of sulfonamide-based drugs | International journal of molecular sciences |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.9910076 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.9910076 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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