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4,5-Dibromo-1-methylimidazole

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Name

4,5-Dibromo-1-methylimidazole

EINECS N/A
CAS No. 1003-50-5 Density 2.22 g/cm3
PSA 17.82000 LogP 1.94510
Solubility N/A Melting Point 68-71 °C
Formula C4H4Br2N2 Boiling Point 339 °C at 760 mmHg
Molecular Weight 239.9 Flash Point 158.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1003-50-5 (4,5-DIBROMO-1-METHYL-1H-IMIDAZOLE) Hazard Symbols IrritantXi
Synonyms

Imidazole,4,5-dibromo-1-methyl- (7CI,8CI);4,5-Dibromo-1-methylimidazole;

Article Data 12

4,5-Dibromo-1-methylimidazole Specification

The IUPAC name of 4,5-Dibromo-1-methylimidazole is 4,5-dibromo-1-methylimidazole. With the CAS registry number 1003-50-5, it is also named as 1H-Imidazole,4,5-dibromo-1-methyl-. The product's categories are blocks, bromides, imidazoles, imidazol & benzimidazole. Besides, it should be kept in cold storage. In addition, its molecular formula is C4H4Br2N2 and its molecular weight is 239.9. 

The other characteristics of 4,5-Dibromo-1-methylimidazole can be summarized as: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 5.21; (7)ACD/KOC (pH 5.5): 113.35; (8)ACD/KOC (pH 7.4): 113.46; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 40.36 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 16×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 2.22 g/cm3; (19)Flash Point: 158.8 °C; (20)Melting Point: 68-71 °C; (21)Enthalpy of Vaporization: 55.93 kJ/mol; (22)Boiling Point: 339 °C at 760 mmHg; (23)Vapour Pressure: 0.000186 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 4,5-Dibromo-1-methylimidazole is irritating to eyes, respiratory system and skin. When you use it, please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1ncn(c1Br)C
(2)InChI:InChI=1/C4H4Br2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
(3)InChIKey:JGFCQTKCCPQLKP-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C4H4Br2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
(5)Std. InChIKey:JGFCQTKCCPQLKP-UHFFFAOYSA-N

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