trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate | CAS No. 1667-99-8

trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate

Basic Information

CAS Number

1667-99-8

Molecular Formula

C23H13Cl2Na3O9S

Molecular Weight

605.3 g/mol

AD

Basic Physical Properties

Density

1.0410

CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3/b17-12+;;;

InChIKey

FUIZKNBTOOKONL-DPSBJRLESA-K

LogP

2.36300

Complexity

1100

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

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

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

对湿度敏感

Synonyms & References

English

  • NSC 56431
  • NSC 623549
  • AKOS004901558
  • Chrome Azurol S
  • 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt
  • AKOS015903601
  • DTXSID50889367
  • Chromine Sky Blue S
  • 2,6-Dichlorodimethyl-sulfoxy-fuchsonedicarboxylic Acid Sodium Salt
  • Chromeazurol S, Dye content 50 %
  • AMY22419
  • CI MORDANT BLUE 29, TRISODIUM SALT
  • AKOS025116645
  • EN300-717389
  • C.I. Mordant Blue 29
  • trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
  • 5-((3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid trisodium salt
  • MFCD00001615
  • trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate
  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methyl-, trisodium salt
  • MordantBlue29
  • C.I. 43825
  • CI MORDANT BLUE 29
  • CHEMBL377545
  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methyl-, sodium salt (1:3)
  • UNII-Y6C592EY5D
  • ci 43825
  • NSC-623549
  • Chrome Azurol
  • EINECS 216-787-0
  • Chromeazurol S

MDL Number

MFCD00001615

Customs Code

29189900

FAQ

What is tris sodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8)?

Trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8) is a complex organic sodium salt with a structure containing a benzoate group, sulfonate functionality, and a cyclohexa-2,5-dien-1-ylidene moiety. It exhibits acidic properties due to the carboxylate groups and is known for its chemical stability in controlled environments. This compound is primarily used in specialized industrial and research applications.

What are the main uses of tris sodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8)?

Trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8) is primarily used in pharmaceuticals as a photosensitizer and in industrial applications for dye production. It may also serve as a stabilizer in chemical formulations and find use in research for organic synthesis. Its unique structure makes it suitable for applications requiring specific functional group interactions.

Is tris sodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8) safe?

Safety information for trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8) is limited. General precautions include avoiding skin and eye contact, using gloves and goggles, and working in a well-ventilated area. It should comply with safety standards for chemical handling, and specific toxicity data may require consultation of safety data sheets (SDS) for accurate risk assessment.

How should tris sodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8) be stored?

Trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate (CAS: 1667-99-8) should be stored in a cool, dry place (ideally 2-8°C), away from light, and in airtight containers to prevent moisture absorption. Avoid exposure to incompatible substances and maintain storage conditions to ensure chemical stability and prolong shelf life.

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