6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride

Basic Information

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CAS Number

2150-48-3

Molecular Formula

C21H27ClN2O

Molecular Weight

358.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

174-176 °C

Solubility

Soluble in water, ethyl acetate, methyl acetate, ethylene glycol; slightly soluble in ethanol, methanol, methyl cellosolve

SMILES

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CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]

InChI

InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1

InChIKey

CXZRDVVUVDYSCQ-UHFFFAOYSA-M

LogP

1.19980

Complexity

530

Synonyms & References

English

C.I. 45010
PYRONINE B [MI]
Xanthylium, 3,6-bis(diethylamino)-, chloride (1:1)
Pyronin B Certified
NSC44690
CHEMBL1973844
UNII-N3P889IX5O
AKOS040744474
NSC-44690
CHEBI:90405
MFCD03701356
EINECS 218-429-9
CS-0568217
CI45010
NSC 44690
FT-0759526
[6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride
DTXSID1062209
PYRONINE B
N-(6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride
CI-45010
(6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride
Pyronine B(By)
Q27162518
E tetraethylpyronin
Ammonium, (6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, chloride
NS00083523
N3P889IX5O
Xanthylium, 3,6-bis(diethylamino)-, chloride
Pyronin B
3,6-Bis(diethylamino)xanthylium chloride

MDL Number

MFCD00011932

FAQ

What are the physical and chemical properties of 6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 2150-48-3)?

6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride is a crystalline compound with a molecular weight of approximately 443.6 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is insoluble in water. The compound is moderately reactive, especially under basic conditions, and can form complexes with various metal ions. It is also known for its fluorescence properties, which make it useful in analytical chemistry and sensing applications.

How is 6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 2150-48-3) typically synthesized?

6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride is typically synthesized by the condensation of 9-diethylaminofluorene with diethylamine. This reaction is carried out in the presence of a weak base like sodium carbonate to promote the formation of the iminium ion. The yield is usually around 70-80%, and the product can be purified by recrystallization from ethanol.

What industries use 6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 2150-48-3)?

6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride finds applications in various industries. It is used in pharmaceuticals for its fluorescent properties, in polymers and plastics for its coloring and fluorescent characteristics, and in sensors and semiconductors for its photochemical and luminescent properties. It is also utilized in the formulation of fluorescent dyes and materials for optical detection.

What precautions should be taken when handling 6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 2150-48-3)?

When handling 6-(Diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled with care, and the area should be well-ventilated. It is recommended to refer to the safety data sheet (SDS) for detailed handling and disposal instructions.