(3-bromopropyl)cyclohexane

The Cyclohexane, (3-bromopropyl)-, with the CAS registry number 34094-21-8, is also known as (3-Bromopropyl)cyclohexane. Its EINECS registry number is 251-824-4. This chemical's molecular formula is C₉H₁₇Br and molecular weight is 205.13528. What's more, its IUPAC name is 3-Bromopropylcyclohexane.

Physical properties about Cyclohexane, (3-bromopropyl)- are: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.8; (4)ACD/LogD (pH 7.4): 4.8; (5)ACD/BCF (pH 5.5): 2626.01; (6)ACD/BCF (pH 7.4): 2626.01; (7)ACD/KOC (pH 5.5): 9752.77; (8)ACD/KOC (pH 7.4): 9752.77; (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: 1.48; (14)Molar Refractivity: 49.36 cm³; (15)Molar Volume: 173.7 cm³; (16)Polarizability: 19.56×10^-24 cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 90.3 °C; (20)Enthalpy of Vaporization: 44.2 kJ/mol; (21)Boiling Point: 224.3 °C at 760 mmHg; (22)Vapour Pressure: 0.138 mmHg at 25 °C.

Preparation of Cyclohexane, (3-bromopropyl)-: this chemical is prepared by 3-Cyclohexyl-propan-1-ol by heating. This reaction needs reagents conc. H₂SO₄ and 48 % HBr. The reaction time is 7 hours. The yield is about 75 %.

Uses of Cyclohexane, (3-bromopropyl)-: it is used to produce other chemicals. For example, it is used to produce 4-Cyclohexyl-butyronitrile. The reaction needs solvent Dimethylsulfoxide. The yield is about 96.2 %.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCC1CCCCC1
(2) InChI: InChI=1/C9H17Br/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2
(3) InChIKey: SAJKBMWWUCUTBI-UHFFFAOYAJ