1-BROMO-4-N-HEPTYLBENZENE

The systematic name of 1-(4-Bromophenyl)heptane is 1-bromo-4-heptylbenzene. With the CAS registry number 76287-49-5, it is also named as Benzene,1-bromo-4-heptyl-. The product's categories are 4-Alkylbromobenzenes (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it is liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C₁₃H₁₉Br and molecular weight is 255.19.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.64; (4)ACD/LogD (pH 7.4): 6.64; (5)ACD/BCF (pH 5.5): 65315.14; (6)ACD/BCF (pH 7.4): 65315.14; (7)ACD/KOC (pH 5.5): 97312.3; (8)ACD/KOC (pH 7.4): 97312.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 66.65 cm³; (14)Molar Volume: 220.9 cm³; (15)Polarizability: 26.42×10^-24cm³; (16)Surface Tension: 33.9 dyne/cm; (17)Density: 1.154 g/cm³; (18)Flash Point: 161 °C; (19)Enthalpy of Vaporization: 51.53 kJ/mol; (20)Boiling Point: 296.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00246 mmHg at 25 °C.

Preparation of 1-(4-Bromophenyl)heptane: this chemical can be prepared by 4-(1-hepten-1-yl)bromobenzene.



This reaction needs hydrogen, PtO₂^.2H₂O and ethanol. The yield is 98 %.

Uses of 1-(4-Bromophenyl)heptane: this product is used in the synthesis of liquid crystal monomer and pharmaceutical. Additionally, it can be used to produce tris-(4-heptyl-phenyl)-phosphane.



This reaction needs phosphorus trichloride and tetrahydrofuran. The yield is 58 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1ccc(cc1)CCCCCCC
(2)InChI: InChI=1/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3
(3)InChIKey: YHKMTIJHJWYYAG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3
(5)Std. InChIKey: YHKMTIJHJWYYAG-UHFFFAOYSA-N