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2,4-Dinitro-1H-imidazole

Names

[ CAS No. ]:
5213-49-0

[ Name ]:
2,4-Dinitro-1H-imidazole

[Synonym ]:
Imidazole,2,4-dinitro
Imidazole,2,5-dinitro
KA 121
2,4-dinitro-1(3)H-imidazole
2,4-DINITRO-1H-IMIDAZOLE
2,5-Dinitroimidazole
2,4-Dinitroimidazole

Chemical & Physical Properties

[ Density]:
1.867g/cm3

[ Boiling Point ]:
503.1ºC at 760 mmHg

[ Melting Point ]:
263 - 265°C

[ Molecular Formula ]:
C3H2N4O4

[ Molecular Weight ]:
158.07200

[ Flash Point ]:
258.1ºC

[ Exact Mass ]:
158.00800

[ PSA ]:
120.32000

[ LogP ]:
1.27250

[ Index of Refraction ]:
1.676

[ Storage condition ]:
20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI5200000
CHEMICAL NAME :
Imidazole, 2,4-dinitro-
CAS REGISTRY NUMBER :
5213-49-0
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C3-H2-N4-O4
MOLECULAR WEIGHT :
158.09
WISWESSER LINE NOTATION :
T5M CNJ BNW DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
860 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,287,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
465 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,287,1970

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Precursor & DownStream


Related Compounds

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