5213-49-0

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: 2025-08-26 13:05:42

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

19182-81-1

~92%

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

3034-38-6

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

19182-81-1

~1%

3034-38-6

24079-73-0

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

Precursor 2
19182-81-1 3034-38-6
DownStream 8
143073-73-8 24079-73-0 65902-59-2 57531-37-0
92922-34-4 127692-18-6 127692-13-1 127692-28-8

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