CAS No.1003-50-5,4,5-DIBROMO-1-METHYL-1H-IMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1003-50-5
Name:	4,5-DIBROMO-1-METHYL-1H-IMIDAZOLE
Article Data:	12

Formula:	C₄H₄Br₂N₂
Molecular Weight:	239.9
Synonyms:	Imidazole,4,5-dibromo-1-methyl- (7CI,8CI);4,5-Dibromo-1-methylimidazole;
Density:	2.22 g/cm³
Melting Point:	68-71 °C
Boiling Point:	339 °C at 760 mmHg
Flash Point:	158.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.82000
LogP:	1.94510

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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