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235426-31-0

Basic Information
CAS No.: 235426-31-0
Name: 2-BROMO-1,5-DIMETHYL-1H-IMIDAZOLE
Article Data: 3
Molecular Structure:
Molecular Structure of 235426-31-0 (2-BROMO-1,5-DIMETHYL-1H-IMIDAZOLE)
Formula: C5H7BrN2
Molecular Weight: 175.028
Synonyms: 2-Bromo-1,5-dimethyl-1h-imidazole;
Density: 1.58 g/cm3
Melting Point: 40-42 °C
Boiling Point: 253.6 °C at 760 mmHg
Flash Point: 107.1 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 17.82000
LogP: 1.49100
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Specification

The 1H-Imidazole,2-bromo-1,5-dimethyl-, with the CAS registry number of 235426-31-0, is also known as 2-Bromo-1,5-dimethyl-1h-imidazole. It belongs to the product categories of Blocks; Bromides; Imidazoles. This chemical's molecular formula is C5H7BrN2 and molecular weight is 175.03. What's more, its IUPAC name is 2-Bromo-1,5-dimethylimidazole.

Physical properties about the 1H-Imidazole,2-bromo-1,5-dimethyl- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 37.23 cm3; (9)Molar Volume: 110.4 cm3; (10)Surface Tension: 38.3 dyne/cm; (11)Density: 1.58 g/cm3; (12)Flash Point: 107.1 °C; (13)Enthalpy of Vaporization: 49.1 kJ/mol; (14)Boiling Point: 253.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0181 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ncc(n1C)C
(2) InChI: InChI=1/C5H7BrN2/c1-4-3-7-5(6)8(4)2/h3H,1-2H3
(3) InChIKey: CQONRJOUCSSFLX-UHFFFAOYAJ