ChemicalBook--->CAS DataBase List--->2494-56-6

2494-56-6

2494-56-6 Structure

2494-56-6 Structure
IdentificationMore
[Name]

BUTYRYLCHOLINE IODIDE
[CAS]

2494-56-6
[Synonyms]

BUTYRYLCHOLINE IODIDE
N-BUTYRYLCHOLINE IODIDE
(2-butyryloxyethyl)trimethyl-ammoniuiodide
2-butyryloxyethyltrimethylammonium iodide
Butyrylcholine iodine
(2-hydroxyethyl)trimethylammonium iodide butyrate
[EINECS(EC#)]

219-666-0
[Molecular Formula]

C9H20INO2
[MDL Number]

MFCD00038730
[Molecular Weight]

301.17
[MOL File]

2494-56-6.mol
Chemical PropertiesBack Directory
[Melting point ]

85-89 °C
[storage temp. ]

2-8°C
[solubility ]

methanol: 1g/10 mL, clear, colorless
[form ]

powder to crystal
[color ]

White to Orange to Green
[Water Solubility ]

almost transparency
[BRN ]

3917649
[InChI]

1S/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
[InChIKey]

GALNBQVDMJRFGJ-UHFFFAOYSA-M
[SMILES]

[I-].CCCC(=O)OCC[N+](C)(C)C
[CAS DataBase Reference]

2494-56-6(CAS DataBase Reference)
[EPA Substance Registry System]

Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (2494-56-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

BP0475000
[F ]

3-8-10-23
[TSCA ]

TSCA listed
[HS Code ]

2923.90.0100
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Butyrylcholine Iodide is used in preparation of PEDOT:PSS materials for quantum dot light-emitting diodes.
[Purification Methods]

Recrystallise the iodide from isoPrOH or Et2O. [Tammelin Acta Chem Scand 10 145 1956.] The perchlorate has m 72o (from isoPrOH). [Aldridge Biochem J 53 62 1953, Beilstein 4 IV 1448.]
Spectrum DetailBack Directory
[Spectrum Detail]

BUTYRYLCHOLINE IODIDE(2494-56-6)MS
BUTYRYLCHOLINE IODIDE(2494-56-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2494-56-6(sigmaaldrich)
[TCI AMERICA]

Butyrylcholine Iodide,>99.0%(T)(2494-56-6)
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