Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate)

Basic Information

View in Editor

CAS Number

569-58-4

Molecular Formula

C22H23N3O9

Molecular Weight

473.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

220-225 °C (dec.)

Boiling Point

573.92°C (rough estimate)

Water Solubility

800 g/L (20 ºC)

Refractive Index

1.6300 (estimate)

SMILES

View in Editor

C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N.N.N

InChI

InChI=1S/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3

InChIKey

AIPNSHNRCQOTRI-UHFFFAOYSA-N

LogP

3.41770

Complexity

841

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable.

Sensitiveness

对湿度敏感

Synonyms & References

English

Aurintricarboxylic acid ammonium salt
Aluminon, JIS special grade
Aurintricarboxylic acid ammonium salt, powder
Aluminon
Aurintricarboxylic acid ammonium salt, ACS reagent
Ammonium aurintricarboxylate
Aurintricarboxylic acid ammonium salt, p.a.
Benzoic acid,5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-, triammonium salt
aurin tricarboxylic acid ammonium salt
azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
5,5'-((3-carboxy-4-oxocyclohexa-2,5-dienylidene)methylene)bis(2-hydroxybenzoic acid), triammonia salt
AKOS015902947
AIPNSHNRCQOTRI-UHFFFAOYSA-N
MFCD00040925
569-58-4
Aurintricarboxylic acid triammonium salt
Aluminon (Aurintricarboxylic acid triammonium salt)
triammonium 5,5-(3-carboxylato-4-oxocyclohexa-2,5-dienylidenemethylene)disalicylate
ammonium aurinetricarboxylate
Aluminon (mixture of isomers)
ALUMINON, REAGENT FOR ALUMINIUM, ACS
Aluminon100GR
Aluminon25GR
Aluminon500GR
Aurintricarboxylicacidammoniumsalt
ChromevioletCGAluminon
3-(3,3'-Dicarboxy-4,4'-dihydroxy-benzhydryliden)-6-oxo-cyclohexa-1,4-diencarbonsaeure,Ammo
3-(3,3'-Dicarboxy-4,4'-dihydroxy-benzhydryliden)-6-oxo-cyclohexa-1,4-diencarbonsaeure,Triammonium-Salz
3-(3,3'-dicarboxy-4,4'-dihydroxy-benzhydryliden)-6-oxo-cyclohexa-1,4-dienecarboxylic acid,triammonium salt
ACS
ALUMINON,P.A.

MDL Number

MFCD00040925

Customs Code

29189090

FAQ

What is Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4)?

Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) is a complex organic compound containing a coumarin-based bridging group and two 6-hydroxybenzoate moieties. Its triammonium structure suggests it functions as a salt, with potential applications in pharmaceuticals and materials science. The compound exhibits stability under standard conditions but requires careful handling due to its reactive functional groups.

What are the main uses of Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4)?

This compound is primarily used in pharmaceutical research as a potential photosensitizer for photodynamic therapy. It may also serve as an intermediate in the synthesis of organic dyes or functional materials. Applications in industrial and agricultural sectors are limited, but its unique structure makes it valuable for studying molecular interactions and chemical reactivity in laboratory settings.

Is Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) safe?

Safety of Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) depends on exposure conditions. Limited toxicity data exists, but it is advisable to handle with gloves and eye protection to avoid skin contact or inhalation. Adherence to standard chemical safety protocols and OSHA guidelines is recommended for safe use in research or industrial environments.

How should Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) be stored?

Store Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) in a cool, dry, and dark place, ideally at 25°C with low humidity. Use airtight containers to prevent moisture exposure, and keep it away from incompatible substances. Ensure proper labeling and follow guidelines for chemical storage to maintain stability and safety.