1,4-bis(3-nitrophenyl)butane-1,4-dione

Modify Date: 2025-11-06 17:09:23

1,4-bis(3-nitrophenyl)butane-1,4-dione structure	Common Name	1,4-bis(3-nitrophenyl)butane-1,4-dione
	CAS Number	55959-76-7	Molecular Weight	328.27600
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₆H₁₂N₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1,4-bis(3-nitrophenyl)butane-1,4-dione

Molecular Formula	C₁₆H₁₂N₂O₆
Molecular Weight	328.27600
Exact Mass	328.07000
PSA	125.78000
LogP	4.39520
InChIKey	KYKNAJUWCUJKFD-UHFFFAOYSA-N
SMILES	O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

Diethylamine

CAS#:109-89-7

3-Nitrophenacyl...

CAS#:2227-64-7

3'-Nitroacetophenone

CAS#:121-89-1

Zinc chloride

CAS#:7646-85-7

~88%

Detail

Literature: ABBOTT LABAORATORIES Patent: US2010/317568 A1, 2010 ;

1,2-DIBENZOYLETHANE

CAS#:495-71-6

~40%

1,4-bis(3-nitro...

CAS#:55959-76-7

Literature: Ling, Chris; Lahti, Paul M. Journal of the American Chemical Society, 1994 , vol. 116, # 19 p. 8784 - 8792

1,2-Dibenzoylet...

CAS#:4070-75-1

1,4-bis(3-nitro...

CAS#:55959-76-7

Literature: Ling, Chris; Lahti, Paul M. Journal of the American Chemical Society, 1994 , vol. 116, # 19 p. 8784 - 8792

Precursor 6
CAS#:109-89-7 Diethylamine CAS#:2227-64-7 3-Nitrophenacyl... CAS#:121-89-1 3'-Nitroacetophenone CAS#:7646-85-7 Zinc chloride
CAS#:495-71-6 1,2-DIBENZOYLETHANE CAS#:4070-75-1 1,2-Dibenzoylet...
DownStream 0

Names