Methyl p-toluenesulfonate - CAS 80-48-8
Catalog: |
BB036511 |
Product Name: |
Methyl p-toluenesulfonate |
CAS: |
80-48-8 |
Synonyms: |
methyl 4-methylbenzenesulfonate |
IUPAC Name: | methyl 4-methylbenzenesulfonate |
Description: | Methyl p-toluenesulfonate (CAS# 80-48-8) is a useful research chemical.DAU 5884 Hydrochloride was used to prepare antimuscarinic agents. |
Molecular Weight: | 186.23 |
Molecular Formula: | C8H10O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OC |
InChI: | InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 |
InChI Key: | VUQUOGPMUUJORT-UHFFFAOYSA-N |
Boiling Point: | 292 °C |
Melting Point: | 24-30 °C |
Flash Point: | 306 °F (152 °C) (open cup) |
Purity: | > 98 % |
Density: | 1.234 g/cm3 |
Appearance: | White to slightly yellow low melting solid |
Storage: | 2-8 °C |
MDL: | MFCD00008417 |
LogP: | 2.41090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23888932 | 20130912 | 6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35 | Journal of medicinal chemistry |
22525873 | 20120601 | Removal of potentially genotoxic acetamide and arylsulfonate impurities from crude drugs by molecular imprinting | Journal of chromatography. A |
22226040 | 20120305 | Development of chromatographic methods for the determination of genotoxic impurities in cloperastine fendizoate | Journal of pharmaceutical and biomedical analysis |
22115865 | 20120123 | Simultaneous determination of alkyl mesilates and alkyl besilates in finished drug products by direct injection GC/MS | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
22145634 | 20120109 | Extended release of bevacizumab by thermosensitive biodegradable and biocompatible hydrogel | Biomacromolecules |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.03506535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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