3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride

Basic Information

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CAS Number

134-04-3

Molecular Formula

C15H11ClO5

Molecular Weight

306.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

>350 ºC

Boiling Point

421.26°C (rough estimate)

Refractive Index

1.4429 (estimate)

SMILES

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C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]

InChI

InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H

InChIKey

YPVZJXMTXCOTJN-UHFFFAOYSA-N

LogP

0.20730

Complexity

328

Synonyms & References

English

Pelargonidin(chloride)
LS-14367
134-04-3
FT-0631777
Pelargonidin;Pelargonidol chloride
SCHEMBL20591
Pelargonidin chloride
CHEBI:28510
2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride
1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
A806724
AC-34446
Q27103746
EINECS 205-127-7
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
Pelargonidin
CHEMBL591036
1ST40123
J-006474
PELARGONIDIN [MI]
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
HY-W011370
3,4',5,7-Tetrahydroxyflavylium chloride
DFL6200791
Pelargonidol chloride
AKOS030573524
DTXSID001020859
2-(4-hydroxyphenyl)chromenylium-3,5,7-triol
BCP24005
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
MFCD00017589

MDL Number

MFCD00017589

Customs Code

2906299090

FAQ

What are the physical and chemical properties of 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3)?

3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3) is a crystalline compound with a molecular weight of approximately 344.26 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound exhibits limited reactivity, showing stability under neutral conditions. It can undergo photodegradation under UV light, making appropriate storage conditions necessary.

How is 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3) typically synthesized?

3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3) is typically synthesized via the reaction of 2-(4-hydroxyphenyl)-3,5,7-trihydroxychromenium bromide with potassium chloride in a polar aprotic solvent. The reaction is carried out under an inert atmosphere to prevent oxidation and side reactions, with a yield of up to 75%. The use of appropriate catalysts can enhance selectivity and yield.

What industries use 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3)?

3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3) is used in various industries, including pharmaceuticals for developing new drug candidates, sensors for environmental monitoring, and semiconductors for organic electronics. Its unique chemical structure makes it suitable for applications in polymer synthesis and as a photostable chromophore.

What precautions should be taken when handling 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3)?

When handling 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride (CAS: 134-04-3), it is essential to wear 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. Handling should be conducted in a fume hood due to its potential to undergo photodegradation. In case of a spill, immediately clean up with appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further instructions.