CAS No.23328-88-3,2-BROMO-4-METHYL-1H-IMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23328-88-3
Name:	2-BROMO-4-METHYL-1H-IMIDAZOLE
Article Data:	3

Formula:	C₄H₅BrN₂
Molecular Weight:	161.001
Synonyms:	2-Bromo-4-methyl-1H-imidazole;
Density:	1.723 g/cm³
Melting Point:	110-114
Boiling Point:	280.7 °C at 760 mmHg
Flash Point:	123.5 °C
Hazard Symbols:	Xi
PSA:	28.68000
LogP:	1.48060

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Specification

The 1H-Imidazole,2-bromo-5-methyl-, with the CAS registry number of 23328-88-3, is also known as 2-Bromo-4-methyl-1H-imidazole. It belongs to the product categories of Blocks; Bromides; Imidazoles. This chemical's molecular formula is C₄H₅BrN₂ and molecular weight is 161. What's more, its IUPAC name is 2-Bromo-5-methyl-1H-imidazole.

Physical properties about the 1H-Imidazole,2-bromo-5-methyl- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 2.82; (6)ACD/BCF (pH 7.4): 6.15; (7)ACD/KOC (pH 5.5): 58.35; (8)ACD/KOC (pH 7.4): 127.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.584; (14) Molar Refractivity: 31.29 cm³; (15)Molar Volume: 93.4 cm³; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.723 g/cm³; (18)Flash Point: 123.5 °C; (19)Enthalpy of Vaporization: 51.94 kJ/mol; (20)Boiling Point: 280.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00373 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ncc(n1)C
(2) InChI: InChI=1/C4H5BrN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
(3) InChIKey: AYQISCMXBQVMSY-UHFFFAOYAW