1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide

Basic Information

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CAS Number

1866-16-6

Molecular Formula

C9H20INOS

Molecular Weight

317.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

171.0 to 176.0 deg-C

Boiling Point

171-174℃

Water Solubility

almost transparency

SMILES

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CCCC(=O)SCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C9H20NOS.HI/c1-6-7-9(11)12-8(2)10(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1

InChIKey

IYNXNSQJLCWMOU-UHFFFAOYSA-M

LogP

-1.24350

Complexity

140

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Air & Moisture Sensitive & Hygroscopic

Synonyms & References

English

(2-Mercaptoethyl)trimethylammonium iodide butyrate
CHEMBL148530
a-Bromo-a-phenylacetone
s-n-Butyrylthiocholine iodide
AC-37017
CS-D1379
NSC-91564
Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1:1)
Ammonium, (2-mercaptoethyl)trimethyl-, iodide, butyrate
A880625
MFCD00011845
SCHEMBL608288
AS-68376
B-9595
B-9600
AKOS015950705
Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide
NSC 91564
Ethanaminium,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide
EINECS 217-475-7
(2-Mercaptoethyl)trimethylammonium iodide butyrate; (propylcarbonylthioethyl)trimethylammonium iodide
2-(Butyrylthio)-N,N,N-trimethylethan-1-aminium iodide
EN300-321577
[2-(butanoylsulfanyl)ethyl]trimethylazanium iodide
DTXSID10883765
NSC91564
2-butanoylsulfanylethyl(trimethyl)azanium;iodide
Ammonium, iodide, butyrate
s-Butyrylthiocholine iodide
1866-16-6
Ethanaminium, N,N,N-trimethyl-2-((1-oxobutyl)thio)-, iodide

MDL Number

MFCD00011845

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6)?

1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6) is a crystalline compound with a molecular weight of approximately 305.38 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is mildly reactive with strong bases and can form precipitates under certain conditions. The compound is stable under normal laboratory conditions but requires careful handling to avoid degradation.

How is 1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6) typically synthesized?

1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6) is typically synthesized through the reaction of butyryl chloride with N,N,N-trimethylethanamine in the presence of iodine. The reaction is carried out under mild conditions to achieve a yield of approximately 85%. The use of appropriate catalysts and solvents can improve selectivity and yield.

What industries use 1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6)?

1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6) is used in various industries. It is employed in the pharmaceutical sector for the synthesis of certain drugs, and in the polymer industry for modifying the properties of organic materials. Additionally, it finds applications in the development of sensors and has potential use in semiconductor manufacturing as a precursor material.

What precautions should be taken when handling 1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6)?

When handling 1-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-16-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from strong acids and bases. In case of a spill, it is advisable to use appropriate spill control materials and consult the Material Safety Data Sheet (MSDS) for detailed instructions. Handling should be conducted in a well-ventilated area or a fume hood to minimize exposure to airborne particles and vapors.