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CAS No.: | 59662-32-7 |
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Name: | 4-N-HEPTYLBIPHENYL |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C19H24 |
Molecular Weight: | 252.4 |
Synonyms: | Biphenyl,4-heptyl- (6CI);4-Heptylbiphenyl; |
EINECS: | -0 |
Density: | 0.934 g/cm3 |
Melting Point: | 28 °C |
Boiling Point: | 366.7 °C at 760 mmHg |
Flash Point: | 189.7 °C |
PSA: | 0.00000 |
LogP: | 5.86650 |
This chemical is called 4-Heptylbiphenyl, and its IUPAC name is 1-heptyl-4-phenylbenzene. With the molecular formula of C19H24, its molecular weight is 252.39. The CAS registry number of this chemical is 59662-32-7.
Other characteristics of the 4-Heptylbiphenyl can be summarised as followings: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/LogD (pH 7.4): 7.62; (5)ACD/BCF (pH 5.5): 366551.56; (6)ACD/BCF (pH 7.4): 366551.56; (7)ACD/KOC (pH 5.5): 334488.13; (8)ACD/KOC (pH 7.4): 334488.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 83.55 cm3; (15)Molar Volume: 270 cm3; (16)Polarizability: 33.12×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.934 g/cm3; (19)Flash Point: 189.7 °C; (20)Enthalpy of Vaporization: 58.91 kJ/mol; (21)Boiling Point: 366.7 °C at 760 mmHg; (22)Vapour Pressure: 3.02E-05 mmHg at 25°C.
Production method of this chemical: The 4-Heptylbiphenyl could be obtained the reactant of 1-biphenyl-4-yl-heptan-1-one, the reagents of Zn, aq. HCl, and the solvent of toluene.
Uses of this chemical: The 4-n-heptyl-4'-iodobiphenyl could be obtained by the reactant of 4-Heptylbiphenyl, the reagents of 98percent H2SO4, HIO3, I2, and the solvents of acetic acid, H2O, CCl4. The yield is 60 %. This reaction should be taken for 10 hours at the temperature of 80 °C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ccc1CCCCCCC)c2ccccc2
2.InChI: InChI=1/C19H24/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h6,8-9,11-16H,2-5,7,10H2,1H3
3.InChIKey: KZIZPXDIBXXKAJ-UHFFFAOYAI