Quinoline blue

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Basic information

CAS: 523-42-2
Standard SMILES: CC(C)CCN1C=C/C(=C\c2cc[n+](CCC(C)C)c3ccccc23)c2ccccc21.[I-]
InChIKey: QGKMIGUHVLGJBR-UHFFFAOYSA-M
Molecular formula: C29H35IN2
Average molar mass: 538.5 g/mol
Monoisotopic mass: 538.1845

Names & identifiers

Preferred name: Quinoline blue
IUPAC: (4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)quinolin-1-ium-4-yl]methylidene]quinoline iodide
English name: CYANINE
Molecular formula: C29H35IN2
Molecular weight: 538.51

Names & synonyms

523-42-2Quinoline BlueRefChem:1097807CyanineAI 3-19500AI3-19500MFCD000503301-(3-Methylbutyl)-4-((1-(3-methylbutyl)-4(1H)-quinolylidene)methyl)quinolinium iodideCS-00821351-Isopentyl-4-((1-isopentylquinolin-4(1H)-ylidene)methyl)quinolin-1-ium iodideQuinolinium, 1-(3-methylbutyl)-4-((1-(3-methylbutyl)-4(1H)-quinolinylidene)methyl)-, iodideQuinolinium, 1-(3-methylbutyl)-4-[[1-(3-methylbutyl)-4(1H)-quinolinylidene]methyl]-, iodide

Show more names

CYANINNK-1486Al3-19500iodocyaninAI-3-19500Cyanine >QUINOLINE BLUEChinoline Blue

(4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)quinolin-1-ium-4-yl]methylidene]quinoline;iodide(E)-1-isopentyl-4-((1-isopentylquinolin-4(1H)-ylidene)methyl)quinolin-1-ium iodide(E)-1-Isopentyl-4-[[1-isopentylquinolin-4(1H)-ylidene]methyl]quinolin-1-ium IodideEINECS 208-345-0orb1705757SCHEMBL29381648AKOS037644999AKOS040744551

Database identifiers

CAS: 523-42-2
PubChem CID: 6436083
EC Number: 208-345-0

Properties

Computed structural properties

Topological polar surface area: 7.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 566

Physicochemical properties

Melting point: 250 °C · >250°C
Density: 1.2649 · 1.2649 (estimate)
solubility: Solubility Sparingly soluble in hot water; soluble in ethanol
form: powder to crystal
color: Green needles or crystals with dark lustre
PH Range: Colorless (7.0) to blue-violet (8.0)
Major Application: Display device, semiconductors, optical fibers, antireflection films, photoimaging process, printed circuit board, inks, toners, paints, adhesives, packing materials, molding materials for fiber-reinforced plastics, building materials, prediction of deterioration of resins, materials for treating animal manure
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933.49 · 2933.49.7000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code: 2933.49.7000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesQuinoline Blue (cas# 523-42-2) is an organic dye, and has been used to prepare photoresists for liquid crystal displays.

Related reactions

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Compound notes

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