1-BROMO-2-METHYLPENTANE

The Pentane, 1-bromo-2-methyl-, with the CAS registry number 25346-33-2, is also known as 1-Bromo-2-methyl-pentan. Its EINECS registry number is 246-879-6. This chemical's molecular formula is C₆H₁₃Br and molecular weight is 165.07. What's more, its systematic name is 1-Bromo-2-methylpentane.

Physical properties about Pentane, 1-bromo-2-methyl- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 332.55; (6)ACD/BCF (pH 7.4): 332.55; (7)ACD/KOC (pH 5.5): 2222.03; (8)ACD/KOC (pH 7.4): 2222.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 37.53 cm³; (15)Molar Volume: 141.1 cm³; (16)Polarizability: 14.88×10^-24 cm³; (17)Surface Tension: 26.5 dyne/cm; (18)Density: 1.169 g/cm³; (19)Flash Point: 40.1 °C; (20)Enthalpy of Vaporization: 36.54 kJ/mol; (21)Boiling Point: 144 °C at 760 mmHg; (22)Vapour Pressure: 6.54 mmHg at 25 °C.

Preparation of Pentane, 1-bromo-2-methyl-: this chemical is prepared by 2-Methyl-pentan-1-ol. This reaction needs reagents Bromine and Triphenylphosphane. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 78 %.

Uses of Pentane, 1-bromo-2-methyl-: it is used to produce other chemicals. For example, it is used to produce (2-Methyl-pentyl)-triphenyl-phosphonium; bromide by heating. The yield is about 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(C)CCC
(2) InChI: InChI=1/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3
(3) InChIKey: GSYMWZIKZUHBKV-UHFFFAOYAM