1-Butanol, 4-bromo- (33036-62-3)

The 4-Bromo-1-butanol, with the cas registry number 33036-62-3 and EINECS registry number 251-355-5, has the systematic name of 4-bromobutan-1-ol. It belongs to the following product categories: omega-Bromoalkanols; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides. And the molecular formula of the chemical is C₄H₉BrO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.43; (6)ACD/BCF (pH 7.4): 2.43; (7)ACD/KOC (pH 5.5): 65.75; (8)ACD/KOC (pH 7.4): 65.75; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 29.84 cm³; (15)Molar Volume: 105.2 cm³; (16)Polarizability: 11.83×10^-24cm³; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.453 g/cm³; (19)Flash Point: 92.1 °C; (20)Enthalpy of Vaporization: 49.71 kJ/mol; (21)Boiling Point: 190.9 °C at 760 mmHg; (22)Vapour Pressure: 0.142 mmHg at 25°C.

Preparation of 4-Bromo-1-butanol: This chemical can be prepared by butane-1,4-diol. The reaction will need reagent 48% hydrobromic acid, and the menstruum benzene. The reaction time is 24 hours with heating, and the yield is about 65%. 

Uses of 4-Bromo-1-butanol: It can react with 3,4-dihydro-2H-pyran to produce 2-(4-bromo-butoxy)-tetrahydro-pyran. This reaction will need reagent Amberlyst 15, and the menstruum hexane. The reaction time is 3 hours with temperature of 25°C.

When you are using this chemical, please be cautious about it as the following: Firstly, it is highly flammable. Secondly, it is harmful if swallowed. And what's more, it irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition; Wear suitable protective gloves and eye/face protection; 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: BrCCCCO
(2)InChI: InChI=1/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2
(3)InChIKey: SIJLYRDVTMMSIP-UHFFFAOYAK