Benzene,(4-bromobutoxy)- (1200-03-9)

The CAS register number of 4-Phenoxybutyl bromide is 1200-03-9. It also can be called as Benzene,(4-bromobutoxy)- and the IUPAC name about this chemical is 4-bromobutoxybenzene. It belongs to the following product categories, such as Halogen compounds, API intermediates, Anisoles, Alkyloxy Compounds & Phenylacetates, Bromine Compounds and so on.

Physical properties about 4-Phenoxybutyl bromide are: (1)ACD/LogP: 3.72; (2)ACD/LogD (pH 5.5): 3.72; (3)ACD/LogD (pH 7.4): 3.72; (4)ACD/BCF (pH 5.5): 396.9; (5)ACD/BCF (pH 7.4): 396.9; (6)ACD/KOC (pH 5.5): 2521.97; (7)ACD/KOC (pH 7.4): 2521.97; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 9.23Ų; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 54.56 cm³; (13)Molar Volume: 176.1 cm³; (14)Polarizability: 21.62x10^-24cm³; (15)Surface Tension: 37.3 dyne/cm; (16)Enthalpy of Vaporization: 50.02 kJ/mol; (17)Boiling Point: 282.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00577 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-dibromo-butane and phenol; sodium salt. The reaction needs heating. The yield is about 45%.

Uses of 4-Phenoxybutyl bromide: it can be used to produce 5-phenoxy-valeric acid with carbon dioxide. This reaction will need reagent Mg. The yield is about 67%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCOc1ccccc1
(2)InChI: InChI=1/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
(3)InChIKey: QBLISOIWPZSVIK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
(5)Std. InChIKey: QBLISOIWPZSVIK-UHFFFAOYSA-N