5-Bromo-4-nitro-1H-imidazole supplier

Name
5-Bromo-4-nitro-1H-imidazole
EINECS
CAS No. 6963-65-1
Article Data10
CAS DataBase
Density 2.156 g/cm³
Solubility
Melting Point 281-282℃ (DEC.)
Formula C₃H₂BrN₃O₂
Boiling Point 382.2 °C at 760 mmHg
Molecular Weight 191.972
Flash Point 184.9 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole,4-bromo-5-nitro- (9CI);Imidazole, 4-bromo-5-nitro- (8CI);4-Nitro-5-bromoimidazole;5(4)-Bromo-4(5)-nitroimidazole;5-Bromo-4-nitro-1H-imidazole;5-Bromo-4-nitroimidazole;NSC 54255;
PSA 74.50000
LogP 1.60360

5-Bromo-4-nitro-1H-imidazole Specification

The CAS register number of 5-Bromo-4-nitro-1H-imidazole is 6963-65-1. It also can be called as 5-Bromo-4-nitroimidazole and the systematic name about this chemical is 5-bromo-4-nitro-1H-imidazole. The molecular formula about this chemical is C₃H₂BrN₃O₂ and the molecular weight is 191.9709. It belongs to the Imidazol & Benzimidazole.

Physical properties about 5-Bromo-4-nitro-1H-imidazole are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.12; (4)ACD/BCF (pH 5.5): 2.46; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 65.34; (7)ACD/KOC (pH 7.4): 12.88; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.64Å²; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 33.01 cm³; (14)Molar Volume: 89 cm³; (15)Polarizability: 13.08x10^-24cm³; (16)Surface Tension: 80.9 dyne/cm; (17)Enthalpy of Vaporization: 60.58 kJ/mol; (18)Boiling Point: 382.2 °C at 760 mmHg; (19)Vapour Pressure: 1.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ncnc1Br
(2)InChI: InChI=1/C3H2BrN3O2/c4-2-3(7(8)9)6-1-5-2/h1H,(H,5,6)
(3)InChIKey: KSEFBYAEHWXHLM-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H2BrN3O2/c4-2-3(7(8)9)6-1-5-2/h1H,(H,5,6)
(5)Std. InChIKey: KSEFBYAEHWXHLM-UHFFFAOYSA-N

Product Name

5-Bromo-4-nitro-1H-imidazole

5-Bromo-4-nitro-1H-imidazole Specification

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