Sodium 1-butanesulfonate - CAS 2386-54-1

Catalog:	BB018214
Product Name:	Sodium 1-butanesulfonate
CAS:	2386-54-1
Synonyms:	sodium;butane-1-sulfonate

Technical Data

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Computed Properties

IUPAC Name:	sodium;butane-1-sulfonate
Description:	Sodium 1-butanesulfonate (CAS# 2386-54-1) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C4H9NaO3S
Canonical SMILES:	CCCCS(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChI Key:	XQCHMGAOAWZUPI-UHFFFAOYSA-M
Melting Point:	300 °C
Purity:	> 98.0 % (T)
Density:	1.221 g/cm³
Appearance:	White to off-white crystalline powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00007540
LogP:	1.41250

Publication Number	Title	Priority Date
CN-113433727-A	Electrochromic optical film and preparation method thereof	20210618
CN-112808463-A	Medicament and method for flotation separation of iron-titanium ore and iron-containing gangue	20201230
CN-112375318-A	Color-changing, antibacterial and high-water-absorption material for pet urinal pad or diaper and preparation method	20201112
CN-112174856-A	Purification production process of organic sulfonic acid	20201026
CN-112142626-A	Synthesis method of ion pair reagent	20201014

PMID	Publication Date	Title	Journal
12120353	20020121	Synthesis of high silicon content SAPO(4)-5 using anionic surfactants in a hexanol/aqueous two phase media	Chemical communications (Cambridge, England)

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Related Functional Groups

Sulfur Compounds

[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.01700960
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.01700960
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0