Pentane, 3-bromo- (1809-10-5)

The 3-Bromopentane, with the CAS registry number 1809-10-5, is also known as 3-Bromo-pentan and Pentane, 3-bromo-. Its EINECS registry number is 217-314-0. This chemical's molecular formula is C₅H₁₁Br and molecular weight is 151.04. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromopentane.

Physical properties about this chemical are: (1) ACD/LogP: 3.09; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.09; (4) ACD/LogD (pH 7.4): 3.09; (5) ACD/BCF (pH 5.5): 131.23; (6) ACD/BCF (pH 7.4): 131.23; (7) ACD/KOC (pH 5.5): 1142.08; (8) ACD/KOC (pH 7.4): 1142.08; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 0 Å²; (13) Index of Refraction: 1.44; (14) Molar Refractivity: 32.9 cm³; (15) Molar Volume: 124.6 cm³; (16) Surface Tension: 25.6 dyne/cm; (17) Density: 1.211 g/cm³; (18) Flash Point: 31.3 °C; (19) Enthalpy of Vaporization: 34.18 kJ/mol; (20) Boiling Point: 118.3 °C at 760 mmHg; (21) Vapour Pressure: 20 mmHg at 25 °C.

Uses of 3-Bromopentane: it is used to produce other chemicals. For example, it is used to produce 2-(1-Ethyl-propoxy)-isoindole-1,3-dione.



This reaction needs reagent DBU and solvent Dimethylformamide, Toluene at temperature of 40 - 50 °C. The reaction time is 1 hours. The yield is 74 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. In addition, this chemical is highly flammable. In contact with air, only need brief contact with an ignition source, have a very low flash point or evolve highly flammable gases in contact with water may catch fire. Therefore, you should wear suitable protective clothing and in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC(CC)CC
(2) InChI: InChI=1/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
(3) InChIKey: VTOQFOCYBTVOJZ-UHFFFAOYAL