2,4-Dinitro-1H-imidazole

Modify Date: 2025-08-26 13:05:42

2,4-Dinitro-1H-imidazole structure	Common Name	2,4-Dinitro-1H-imidazole
	CAS Number	5213-49-0	Molecular Weight	158.07200
	Density	1.867g/cm3	Boiling Point	503.1ºC at 760 mmHg
	Molecular Formula	C₃H₂N₄O₄	Melting Point	263 - 265°C
	MSDS	N/A	Flash Point	258.1ºC

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

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
InChIKey	FLDSOXFRYVOGFK-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1cnc([N+](=O)[O-])[nH]1
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

1,4-dinitroimidazole

CAS#:19182-81-1

~92%

2,4-Dinitro-1H-...

CAS#: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

4-Nitroimidazole

CAS#:3034-38-6

2,4-Dinitro-1H-...

CAS#: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

1,4-dinitroimidazole

CAS#:19182-81-1

~1%

4-Nitroimidazole

CAS#:3034-38-6

2,4,5-Trinitroi...

CAS#:24079-73-0

2,4-Dinitro-1H-...

CAS#: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
CAS#:19182-81-1 1,4-dinitroimidazole CAS#:3034-38-6 4-Nitroimidazole
DownStream 8
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