Potassium ethyl 2-((3,5-dibromo-4-oxidophenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate
Basic information
- CAS
62637-91-6- Standard SMILES
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c([O-])c(Br)c1.[K+]- InChIKey
WCIQBKUTYDIBJC-UHFFFAOYSA-M- Molecular formula
- C22H13Br4KO4
- Average molar mass
- 700 g/mol
- Monoisotopic mass
- 695.71844
Names & identifiers
- Preferred name
- Potassium ethyl 2-((3,5-dibromo-4-oxidophenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate
- IUPAC
- potassium 2,6-dibromo-4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-ethoxycarbonylphenyl)methyl]phenolate
- English name
- Tetrabromophenolphthalein ethyl ester potassium salt
- Molecular formula
- C22H13Br4KO4
- Molecular weight
- 700.05
Names & synonyms
Benzoic acid, 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-, ethyl ester, potassium salt (1:1)Potassium ethyl 2-((3,5-dibromo-4-oxidophenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoatePotassium ethyl 2-[(3,5-dibromo-4-oxidophenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoateBenzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester, potassium salt (1:1)RefChem:86780662637-91-6Tetrabromophenolphthalein Ethyl Ester Potassium SaltPotassium tetrabromophenolphthalein ethyl esterPotassium 2,6-dibromo-4-((3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)(2-(ethoxycarbonyl)phenyl)methyl)phenolateMFCD00011662C22H13Br4KO44O95T891R8
Show more names
TBPEDJ-2DjA1HSDJNEDD7TBPE Tretinoin Impurity 13POTASSIUM TETRABROMOPHENOLPHTHALATE
Properties
Computed structural properties
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 758
Physicochemical properties
- Melting point
- 210 °C · 210 °C (dec.)(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol (Slightly)
- form
- Crystalline Powder or Granules
- color
- Blue to blue-black
- Water Solubility
- Soluble in water.
- BRN
- 3848263 · 3848263
- Stability
- Hygroscopic
- FDA UNII
- 4 O95T891R8 · 4O95T891R8
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester, potassium salt (62637-91-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester, potassium salt (1:1): ACTIVE
Applications
UsesTBPE (Tetrabromophenolphthalein Ethyl Ester Potassium Salt) is a sensitive spectrophotometric reagent for amines, quaternary ammonium salts and other cations. TBPE has been incorporated into colour-changing test strips for lead(II), and has been used in testing for ethoxylated nonionic surfactants.
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Compound notes
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