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19694-02-1

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19694-02-1 Structure

19694-02-1 Structure
IdentificationBack Directory
[Name]

1-PYRENECARBOXYLIC ACID
[CAS]

19694-02-1
[Synonyms]

RARECHEM AL BE 0667
pyrene-1-carboxylicaci
1-PYRENECARBOXYLIC ACID
PYRENE-1-CARBOXYLIC ACID
1-PyrenecarboxylicAcid>
1-Pyrenecarboxylic acid 97%
1-Pyrenecarboxylic Acid pure, 97%
PYRENE-1-CARBOXYLIC ACID FOR FLUOR- &
1-PYRENECARBOXYLIC ACID FOR FLUORESCENCE 98+%
[Molecular Formula]

C17H10O2
[MDL Number]

MFCD00192424
[MOL File]

19694-02-1.mol
[Molecular Weight]

246.26
Chemical PropertiesBack Directory
[Melting point ]

270-272 °C(lit.)
[Boiling point ]

329.26°C (rough estimate)
[density ]

1.2132 (rough estimate)
[refractive index ]

1.4770 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF: soluble
[form ]

powder to crystal
[pka]

3.49±0.30(Predicted)
[color ]

Light yellow to Yellow to Green
[BRN ]

2375854
[InChI]

InChI=1S/C17H10O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H,18,19)
[InChIKey]

HYISVWRHTUCNCS-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[F ]

8
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->Pyridine-->Aluminum chloride-->Acetyl chloride-->Sodium hypochlorite-->Pyrene
Hazard InformationBack Directory
[Uses]

PCA can be used in the surface modification of graphene and carbon nanotubes (CNTs), which can further be used for a variety of electronic applications.
[General Description]

1-Pyrenecarboxylic acid (PCA) is a polyaromatic derivative that has an amphiphilic characteristic. It is a fluorophore that shows absorption spectra in the UV region. PCA has a carboxylic acid group that attaches with pyrene nucleus. It can be used as a sensitizer that facilitates the electron transport from one medium to another.
[Purification Methods]

Crystallise the acid from *C6H6, chlorobenzene, nitrobenzene or 95% EtOH. [Beilstein 9 H 712, 9 III 3575.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-PYRENECARBOXYLIC ACID(19694-02-1)1HNMR
1-PYRENECARBOXYLIC ACID(19694-02-1)FT-IR
1-PYRENECARBOXYLIC ACID(19694-02-1)IR
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