5213-49-0

5213-49-0 structure
5213-49-0 structure
  • Name: 2,4-Dinitro-1H-imidazole
  • Chemical Name: 2,5-Dinitro-1H-imidazole
  • CAS Number: 5213-49-0
  • Molecular Formula: C3H2N4O4
  • Molecular Weight: 158.07200
  • Create Date: 2018-04-10 08:00:00
  • Modify Date: 2024-01-18 07:40:36

Name 2,5-Dinitro-1H-imidazole
Synonyms 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
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

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
Hazard Codes Xi

~92%

5213-49-0 structure

5213-49-0

Literature: Cho, Jin Rai; Kim, Kwang Joo; Cho, Soo Gyeong; Kim, Jeong Kook Journal of Heterocyclic Chemistry, 2002 , vol. 39, # 1 p. 141 - 148

~%

5213-49-0 structure

5213-49-0

Literature: Zwawiak, Justyna; Olender, Dorota; Zwolska, Zofia; Augustynowicz-Kopec, Ewa; Zaprutko, Lucjusz Acta Poloniae Pharmaceutica - Drug Research, 2008 , vol. 65, # 2 p. 229 - 233

~1%

5213-49-0 structure

5213-49-0

Literature: Bulusu, S.; Damavarapu, R.; Autera, J. R.; Behrens, R., Jr.; Minier, L. M.; et al. Journal of Physical Chemistry, 1995 , vol. 99, # 14 p. 5009 - 5015