Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2,4-Dinitroimidazole

Related Products

Hot Products

Name

2,4-Dinitroimidazole

EINECS N/A
CAS No. 5213-49-0 Density 1.867g/cm3
PSA 120.32000 LogP 1.27250
Solubility N/A Melting Point 271-271.5 °C
Formula C3H2N4O4 Boiling Point 503.1 °C at 760 mmHg
Molecular Weight 158.073 Flash Point 258.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5213-49-0 (2,4-dinitro-3H-imidazole) Hazard Symbols N/A
Synonyms

1H-Imidazole,2,4-dinitro- (9CI);Imidazole, 2,4(or 2,5)-dinitro- (7CI);Imidazole,2,4-dinitro- (8CI);2,4(5)-Dinitroimidazole;2,4-Dinitro-1H-imidazole;2,4-Dinitroimidazole;2,5-Dinitroimidazole;KA 121;NSC 342704;

Article Data 27

2,4-Dinitroimidazole Specification

The 1H-Imidazole,2,5-dinitro-, with CAS registry number 5213-49-0, has the systematic name of 2,4-dinitro-1H-imidazole. Besides this, it is also called 2,4-dinitro-3H-imidazole. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C3H2N4O4.

Physical properties of 1H-Imidazole,2,5-dinitro-: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 120.32 Å2; (7)Index of Refraction: 1.676; (8)Molar Refractivity: 31.86 cm3; (9)Molar Volume: 84.6 cm3; (10)Polarizability: 12.63×10-24cm3; (11)Surface Tension: 106.5 dyne/cm; (12)Density: 1.867 g/cm3; (13)Flash Point: 258.1 °C; (14)Enthalpy of Vaporization: 77.23 kJ/mol; (15)Boiling Point: 503.1 °C at 760 mmHg; (16)Vapour Pressure: 2.99E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc([nH]1)[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)
(3)InChIKey: FLDSOXFRYVOGFK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)
(5)Std. InChIKey: FLDSOXFRYVOGFK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 465mg/kg (465mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 287, 1970.
mouse LD50 oral 860mg/kg (860mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 287, 1970.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 5213-49-0