4-Methoxybenzenesulfonyl chloride - CAS 98-68-0
Catalog: |
BB042208 |
Product Name: |
4-Methoxybenzenesulfonyl chloride |
CAS: |
98-68-0 |
Synonyms: |
4-methoxybenzenesulfonyl chloride |
IUPAC Name: | 4-methoxybenzenesulfonyl chloride |
Description: | 4-Methoxybenzenesulfonyl chloride (CAS# 98-68-0) is a useful research chemical. |
Molecular Weight: | 206.65 |
Molecular Formula: | C7H7ClO3S |
Canonical SMILES: | COC1=CC=C(C=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3 |
InChI Key: | DTJVECUKADWGMO-UHFFFAOYSA-N |
Boiling Point: | 173 °C (14 mmHg) |
Melting Point: | 36-41 °C |
Purity: | 99 % |
Density: | 1.376 g/cm3 |
Appearance: | Crystals |
Storage: | 0-6 °C |
MDL: | MFCD00007446 |
LogP: | 2.70350 |
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 |
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PMID | Publication Date | Title | Journal |
22589994 | 20120401 | Ethyl 3-[7-eth-oxy-6-(4-meth-oxy-benzene-sulfonamido)-2H-indazol-2-yl]propano-ate | Acta crystallographica. Section E, Structure reports online |
21915407 | 20120107 | Application of the dissociative electron transfer theory and its extension to the case of in-cage interactions in the electrochemical reduction of arene sulfonyl chlorides | Physical chemistry chemical physics : PCCP |
22199781 | 20111201 | 3-Hy-droxy-2-(4-meth-oxy-benzene-sulfonamido)-butanoic acid | Acta crystallographica. Section E, Structure reports online |
22199806 | 20111201 | N-(2-Formyl-phen-yl)-4-meth-oxy-N-(4-meth-oxy-phenyl-sulfon-yl)benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22058911 | 20110901 | 4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9804429 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9804429 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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