Methyl sulfate sodium salt - CAS 512-42-5

Catalog:	BB027380
Product Name:	Methyl sulfate sodium salt
CAS:	512-42-5
Synonyms:	sodium;methyl sulfate

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Computed Properties

IUPAC Name:	sodium;methyl sulfate
Description:	Methyl sulfate sodium salt (CAS# 512-42-5) is commonly employed as a methylating agent.
Molecular Weight:	134.09
Molecular Formula:	CH3NaO4S
Canonical SMILES:	COS(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
InChI Key:	DZXBHDRHRFLQCJ-UHFFFAOYSA-M
Melting Point:	210 °C
Purity:	95 %
Density:	1.602 g/cm³
Appearance:	White powder
LogP:	0.17380

Publication Number	Title	Priority Date
CN-113429276-A	Green process synthesis method of 3,4, 5-trimethoxybenzaldehyde	20210604
CN-113248351-A	Preparation method of 6-chloro-2-methoxytoluene and synthetic process of methoxyfenozide	20210526
CN-112908728-A	Double-anion doped polypyrrole electrode slice, preparation method thereof and super capacitor	20210115
CN-112777612-A	AE active ester etherification wastewater treatment method	20201231
CN-111943823-A	Preparation method of metrafenone	20200916

PMID	Publication Date	Title	Journal
22006641	20120201	Enhanced stability and activity of cellulase in an ionic liquid and the effect of pretreatment on cellulose hydrolysis	Biotechnology and bioengineering
21950540	20111117	The nature of the sodium dodecylsulfate micellar pseudophase as studied by reaction kinetics	The journal of physical chemistry. B
21487782	20110801	Partial uncompetitive inhibition of horseradish peroxidase by a water-miscible ionic liquid [BMIM][MeSO4]	Biotechnology letters
21623309	20110527	Knoevenagel reaction in [MMIm][MSO₄]: synthesis of coumarins	Molecules (Basel, Switzerland)
20939580	20101104	Classic force field for predicting surface tension and interfacial properties of sodium dodecyl sulfate	The journal of physical chemistry. B

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GHS Hazard Statement:	H302 (27.27%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.96497403
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.96497403
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0