1-PYRENEBUTYRIC ACID

About This Item

Molecular Formula	C₂₀H₁₆O₂
CAS Number	3443-45-6

FC-0477198

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Properties

Chemical Identifiers

IUPAC Name	4-pyren-1-ylbutanoic acid
SMILES	C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O
InChI Key	QXYRRCOJHNZVDJ-UHFFFAOYSA-N
InChI	InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)

Physical Properties

Boiling Point	515.9±19.0 °C at 760 mmHg
Melting Point	184-186 °C(lit.)
Flash Point	412.3±16.6 °C
Density	1.3±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

412.3±16.6 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.