4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate

Basic Information

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CAS Number

633-03-4

Molecular Formula

C27H34N2O4S

Molecular Weight

482.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

210 °C (dec.)

Density

1.1016 (rough estimate)

Water Solubility

100 g/L (25 ºC)

Solubility

100g/l

Refractive Index

1.6510 (estimate)

SMILES

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[O-]S(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC

InChI

InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

NNBFNNNWANBMTI-UHFFFAOYSA-M

LogP

6.48360

Complexity

642

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1(a) Class 6.1(a)

Stability

Stable. Incompatible with strong oxidizing agents, reducing agents.

Sensitiveness

对湿度敏感

Toxicity

LD100 i.v. in mice: 3 mg/kg (Anderson)

Synonyms & References

English

Brilliant green
SOLID GREEN JO
SOLID GREEN
ANILINE GREEN
MALACHITE GREEN G
BASIC GREEN 1
BASIC GREEN Y
BASIC GREEN I
Basic Green 1 [Ion association reagent for spectrophotometric analysis]
BRILLIANT GREEN C.I. 42040 FOR MICROSCOPY
4,4'-bis-diethylamino-tritylium,hydrogen sulfate
Biological stain
Brillant green
Brilliant Green, certified, pure
Brilliant Green, high purity biological stain, pure
Brilliant Green, pure, high purity biological stain
C.I. 42040
diamond green G
EMerald green crystal
Basic Green 1 Diamond Green C.I. 42040 Ethyl Green As
Astradiamant green GX
Diamond Green
Ethyl Green
[4-[4-(Diethylamino)benzhydrylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium hydrogen sulphate
Emerald Green
Basic Bright Green
C.I. Basic Green 1
Basic Brilliant Green
Basic Green V
Green EN
Fast Green J

MDL Number

MFCD00011880

FAQ

What is 4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate (CAS: 633-03-4)?

4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate, with CAS number 633-03-4, is a synthetic organic compound that functions as a photosensitizer. It contains a diarylmethane scaffold and is known for its ability to absorb light and generate reactive species, making it useful in various chemical applications. The compound is typically used in its protonated form and is characterized by its yellowish color and solubility in polar solvents.

What are the main uses of 4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate (CAS: 633-03-4)?

This compound is primarily used in pharmaceutical research as a photosensitizer for photodynamic therapy. It also finds applications in organic synthesis and as a precursor for other functional compounds. Due to its light-responsive properties, it is utilized in photochemical reactions and may be involved in the development of novel drugs and materials. Its versatility makes it relevant in both academic and industrial settings.

Is 4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate (CAS: 633-03-4) safe?

The safety of 4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, as with many chemical compounds, it is important to follow safety guidelines, use protective equipment, and ensure proper ventilation to minimize potential risks. Safety data sheets and regulatory standards should be consulted for detailed information.

How should 4-{[4-(Diethylamino)phenyl](phenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium hydrogen sulfate (CAS: 633-03-4) be stored?

This compound should be stored in a cool, dry, and dark location to maintain its stability and prevent degradation. It is typically kept in tightly sealed containers to avoid moisture and contamination. Due to its chemical sensitivity, it is advisable to store it away from light and in a controlled environment to ensure optimal shelf life and performance. The storage conditions should also comply with local safety and chemical regulations.