2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)-

Modify Date: 2025-08-25 16:22:34

2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)- Structure
2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)- structure
Common Name 2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)-
CAS Number 15394-91-9 Molecular Weight 229.18800
Density 1.431g/cm3 Boiling Point 422.7ºC at 760mmHg
Molecular Formula C12H7NO4 Melting Point N/A
MSDS N/A Flash Point 216.4ºC

 Names

Name 2-(4-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.431g/cm3
Boiling Point 422.7ºC at 760mmHg
Molecular Formula C12H7NO4
Molecular Weight 229.18800
Flash Point 216.4ºC
Exact Mass 229.03800
PSA 79.96000
LogP 2.20940
Vapour Pressure 2.36E-07mmHg at 25°C
Index of Refraction 1.646
InChIKey VKPOOTQNPMWHIC-UHFFFAOYSA-N
SMILES O=C1C=CC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1

 Safety Information

HS Code 2914700090

 Synthetic Route

~49%

2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)- Structure

2,5-Cyclohexadi...

CAS#:15394-91-9

Literature: Fujiwara, Yuta; Domingo, Victoriano; Seiple, Ian B.; Gianatassio, Ryan; Del Bel, Matthew; Baran, Phil S. Journal of the American Chemical Society, 2011 , vol. 133, # 10 p. 3292 - 3295

~0%

2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)- Structure

2,5-Cyclohexadi...

CAS#:15394-91-9

Detail
Literature: Brown, Kathlynn C.; Doyle, Michael P. Journal of Organic Chemistry, 1988 , vol. 53, # 14 p. 3255 - 3261

~85%

2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)- Structure

2,5-Cyclohexadi...

CAS#:15394-91-9

Literature: Carlson, Brian W.; Miller, Larry L. Journal of the American Chemical Society, 1985 , vol. 107, # 2 p. 479 - 485

~%

2,5-Cyclohexadiene-1,4-dione,2-(4-nitrophenyl)- Structure

2,5-Cyclohexadi...

CAS#:15394-91-9

Literature: Marini-Bettolo Gazzetta Chimica Italiana, 1941 , vol. 71, p. 635,640 Full Text Show Details Kvalnes Journal of the American Chemical Society, 1934 , vol. 56, p. 2478,2479 Full Text Show Details I.G. Farbenind. Patent: DE508395 , 1924 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 17, p. 557

~%

Detail
Literature: Citterio, Attilio; Vismara, Elena; Bernardi, Rosanna Journal of Chemical Research, Miniprint, 1983 , # 4 p. 876 - 890

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

p-nitrophenyl-1,4-benzoquinone
p-nitrophenylbenzoquinone
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