4-Nitropyrene

Catalog	ACM57835924
CAS	57835-92-4
Structure
Category	Environmental Standards
Synonyms	Pyrene, 4-nitro-
IUPAC Name	4-nitropyrene
Molecular Weight	247.25
Molecular Formula	C16H9NO2
Canonical SMILES	C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)[N+](=O)[O-]
InChI	InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChI Key	UISKIUIWPSPSAV-UHFFFAOYSA-N
Melting Point	190-192 °C
Purity	>97.0%(LC)
Solubility	In water, 6.8X10-2 mg/L at 25 °C (est)
LogP	log Kow = 4.75 (est)
Vapor Pressure	5.52X10-8 mm Hg at 25 °C (est)

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