1-BROMOPERFLUOROHEPTANE

The Heptane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-, with the CAS registry number 375-88-2 and EINECS registry number 206-799-4, has the systematic name and IUPAC name of 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane. And the molecular formula of the chemical is C₇BrF₁₅.

The characteristics of Heptane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro- are as followings: (1)ACD/LogP: 7.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.73; (4)ACD/LogD (pH 7.4): 7.73; (5)ACD/BCF (pH 5.5): 443779.97; (6)ACD/BCF (pH 7.4): 443779.97; (7)ACD/KOC (pH 5.5): 383543.5; (8)ACD/KOC (pH 7.4): 383543.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Ų; (13)Index of Refraction: 1.297; (14)Molar Refractivity: 44.42 cm³; (15)Molar Volume: 239.3 cm³; (16)Polarizability: 17.61×10^-24cm³; (17)Surface Tension: 15 dyne/cm; (18)Density: 1.875 g/cm³; (19)Flash Point: 27.5 °C; (20)Enthalpy of Vaporization: 34.51 kJ/mol; (21)Boiling Point: 121.9 °C at 760 mmHg; (22)Vapour Pressure: 17.2 mmHg at 25°C.

Uses of Heptane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-: It can be used to produce 1-bromo-1H-pentadecafluoro-heptane and tridecafluoroheptanoic acid; sodium salt. This reaction will need reagent sodium formaldehyde sulfoxylate, and the menstruum dimethylsulfoxide and H₂O. The reaction time is 25 hours with temperature of 80-85°C, and the yield is about 78%.      

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(Br)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
(3)InChIKey: VPQQZKWYZYVTMU-UHFFFAOYAB