p-Toluenesulfonic anhydride - CAS 4124-41-8
Catalog: |
BB024835 |
Product Name: |
p-Toluenesulfonic anhydride |
CAS: |
4124-41-8 |
Synonyms: |
(4-methylphenyl)sulfonyl 4-methylbenzenesulfonate |
IUPAC Name: | (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate |
Description: | p-Toluenesulfonic anhydride (CAS# 4124-41-8) is a useful research chemical. |
Molecular Weight: | 326.39 |
Molecular Formula: | C14H14O5S2 |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C |
InChI: | InChI=1S/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
InChI Key: | PDVFSPNIEOYOQL-UHFFFAOYSA-N |
Boiling Point: | 478 °C at 760 mmHg |
Melting Point: | 124-126 °C |
Purity: | 95 % |
Density: | 1.361 g/cm3 |
Appearance: | Off-white to cream powder |
Storage: | 2-8 °C |
MDL: | MFCD00008548 |
LogP: | 4.55920 |
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-113461643-A | Synthesis method of 4-methylbenzenesulfonic acid [ (3-fluoro-oxetan-3-yl) methyl ] ester | 20210720 |
CN-113501809-A | Quaternary ring metal platinum (II) and palladium (II) complex luminescent material containing quinoline structural unit and application thereof | 20210713 |
CN-112900092-A | Antibacterial soil-release fabric and preparation method thereof | 20210304 |
CN-112778390-A | Synthesis method of androstenone | 20210122 |
CN-112876397-A | Preparation method of 2, 5-dihydro-2-oxo-1H-pyrrole-1-acetamide | 20210119 |
PMID | Publication Date | Title | Journal |
22163864 | 20110101 | Fluorescent sensing of chlorophenols in water using an azo dye modified β-cyclodextrin polymer | Sensors (Basel, Switzerland) |
21201767 | 20080820 | (E)-1,2-Diphenyl-vinyl p-toluene-sulfonate | Acta crystallographica. Section E, Structure reports online |
18970824 | 20061015 | Characterization of moisture-sensitive raw materials with simple spectroscopic techniques | Talanta |
14587703 | 20031007 | Palladium-catalyzed allylic alkenylation of allylic alcohols with n-butyl acrylate | Chemical communications (Cambridge, England) |
12868933 | 20030725 | Palladium-catalyzed benzannulation from alkynes and allylic compounds | The Journal of organic chemistry |
Complexity: | 475 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.02826589 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.02826589 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 94.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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