4-Benzoyloxy-5-nitro-4,5-dihydrothymine

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Names

[ CAS No. ]:
82531-53-1

[ Name ]:
4-Benzoyloxy-5-nitro-4,5-dihydrothymine

[Synonym ]:
4-Benzoyloxy-5-nitro-4,5-dihydrothymine
Dihydro-6-(benzoyloxy)-5-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione
2,4(1H,3H)-Pyrimidinedione,dihydro-6-(benzoyloxy)-5-methyl-5-nitro

Chemical & Physical Properties

[ Density]:
1.49g/cm3

[ Molecular Formula ]:
C12H11N3O6

[ Molecular Weight ]:
293.23200

[ Exact Mass ]:
293.06500

[ PSA ]:
137.30000

[ LogP ]:
0.48340

[ Index of Refraction ]:
1.61

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV9058105
CHEMICAL NAME :
2,4(1H,3H)-Pyrimidinedione, dihydro-6-(benzoyloxy)-5-methyl-5-nitro-
CAS REGISTRY NUMBER :
82531-53-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H11-N3-O6
MOLECULAR WEIGHT :
293.26

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 :
1300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 37,283,1982

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 4-hydroxy-5-nitro-4,5-dihydrothymine
  • 4-Chloroacetyloxy-5-nitro-4,5-dihydrothymine
  • 4-(5-nitro-3-phenylthiophen-2-yl)morpholine
  • 4,5-dimethoxy-2-nitrobenzoyl chloride
  • (4,5-Dimethoxy-1,2-phenylene)bis((2-nitro-4,5-dimethoxyphenyl)methanone)
  • 4-(5-Nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)aniline