2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl-

Modify Date: 2025-08-23 08:15:02

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- structure
 Common Name 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl-
CAS Number 21914-07-8 Molecular Weight 280.27800
Density 1.304g/cm3 Boiling Point N/A
Molecular Formula C16H12N2O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5,5-diphenyl-1,3-diazinane-2,4,6-trione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.304g/cm3
Molecular Formula C16H12N2O3
Molecular Weight 280.27800
Exact Mass 280.08500
PSA 75.27000
LogP 1.99630
Index of Refraction 1.608
InChIKey IKVPZYAOGOJTLK-UHFFFAOYSA-N
SMILES O=C1NC(=O)C(c2ccccc2)(c2ccccc2)C(=O)N1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4196000
CHEMICAL NAME :
Barbituric acid, 5,5-diphenyl-
CAS REGISTRY NUMBER :
21914-07-8
LAST UPDATED :
199206
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H12-N2-O3
MOLECULAR WEIGHT :
280.30
WISWESSER LINE NOTATION :
T6VMVMV FHJ FR& FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
572 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 89,356,1947

 Synthetic Route

Barbituric acid structure

Barbituric acid

CAS#:67-52-7

Plumbane,tris(acetyloxy)phenyl- structure

Plumbane,tris(a...

CAS#:3076-54-8

~65%

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure

2,4,6(1H,3H,5H)...

CAS#:21914-07-8

Literature: Kopinski, Richard P.; Pinhey, John T.; Rowe, Bruce A. Australian Journal of Chemistry, 1984 , vol. 37, # 6 p. 1245 - 1254
1,3-bis(methoxymethyl)-5,5-diphenyl-1,3-diazinane-2,4,6-trione structure

1,3-bis(methoxy...

CAS#:97846-21-4

~%

N/A structure

N/A

CAS#:222528-52-1

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure

2,4,6(1H,3H,5H)...

CAS#:21914-07-8

Literature: Gutman, Daniella; Cyjon, Rosa Patent: US2006/4031 A1, 2006 ; Location in patent: Page/Page column 5 ;
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dihydroxy- structure

2,4,6(1H,3H,5H)...

CAS#:3237-50-1

benzene structure

benzene

CAS#:71-43-2

~%

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure

2,4,6(1H,3H,5H)...

CAS#:21914-07-8

Literature: Morsman Helvetica Chimica Acta, 1935 , vol. 18, p. 1254,1263 Full Text Show Details McElvain Journal of the American Chemical Society, 1935 , vol. 57, p. 1303 Full Text View citing articles Show Details Barnes; McElvain Journal of the American Chemical Society, 1937 , vol. 59, p. 2348,2350
diphenyl-malonic acid diamide structure

diphenyl-maloni...

CAS#:876481-99-1

~%

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure

2,4,6(1H,3H,5H)...

CAS#:21914-07-8

Literature: Morsman Helvetica Chimica Acta, 1935 , vol. 18, p. 1254,1263
2,2-diphenylmalonyl dichloride structure

2,2-diphenylmal...

CAS#:29548-99-0

~%

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure

2,4,6(1H,3H,5H)...

CAS#:21914-07-8

Literature: Morsman Helvetica Chimica Acta, 1935 , vol. 18, p. 1254,1263
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dihydroxy- structure

2,4,6(1H,3H,5H)...

CAS#:3237-50-1

Sulfuric acid structure

Sulfuric acid

CAS#:7664-93-9

benzene structure

benzene

CAS#:71-43-2

~%

N-carbamoyl-2,2-diphenyl-acetamide structure

N-carbamoyl-2,2...

CAS#:81498-89-7

Detail
Literature: Morsman Helvetica Chimica Acta, 1935 , vol. 18, p. 1254,1263 Full Text Show Details McElvain Journal of the American Chemical Society, 1935 , vol. 57, p. 1303 Full Text View citing articles Show Details Barnes; McElvain Journal of the American Chemical Society, 1937 , vol. 59, p. 2348,2350
Urea structure

Urea

CAS#:57-13-6

2,2-diphenylmalonyl dichloride structure

2,2-diphenylmal...

CAS#:29548-99-0

~%

2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl- Structure

2,4,6(1H,3H,5H)...

CAS#:21914-07-8

Literature: Morsman Helvetica Chimica Acta, 1935 , vol. 18, p. 1254,1263

 Synonyms

5,5-diphenyl-pyrimidine-2,4,6-trione
5,5-Diphenylbarbituric acid
5,5-Diphenyl-barbitursaeure
Phenobarbital
Barbituric acid,5,5-diphenyl
Barbituric acid,5-diphenyl
5,5-Diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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Chemsrc provides CAS#:21914-07-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl->> amp version: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diphenyl-

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