Undecanoic acid,11-bromo- (2834-05-1)

The IUPAC name of this chemical is 11-bromoundecanoic acid. With the CAS registry number 2834-05-1, it is also named as Undecanoic acid, 11-bromo-. The product's categories are Miscellaneous; Organic acids; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Linear hydrocarbon series; C11 to C12; Carbonyl Compounds; Carboxylic Acids. It is white or almost white crystalline powder which is used in the preparation of nylon plastic. In addition, this chemical is stable under normal temperature and pressure conditions. It is not compatible with strong oxidizing agents, reducing agents and bases. Furthermore, 11-Bromoundecanoic acid should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 192.96; (6)ACD/BCF (pH 7.4): 3.1; (7)ACD/KOC (pH 5.5): 893.6; (8)ACD/KOC (pH 7.4): 14.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10 ; (12)Index of Refraction: 1.483; (13)Molar Refractivity: 62.3 cm³; (14)Molar Volume: 217.9 cm³; (15)Polarizability: 24.7×10^-24 cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Enthalpy of Vaporization: 65.75 kJ/mol; (18)Vapour Pressure: 5.99E-06 mmHg at 25°C; (19)Rotatable Bond Count: 10; (20)Exact Mass: 264.072493; (21)MonoIsotopic Mass: 264.072493; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 14; (24)Complexity: 137.

Preparation of 11-Bromoundecanoic acid: It can be obtained by undec-10-enoic acid. This reaction needs reagent HBr and azoisobutyronitrile and solvent light petroleum by irradiation. The reaction time is 30 min. The yield is 67 %. 

Uses: It react with methanol to react 11-bromo-undecanoic acid methyl ester. This reaction needs reagent p-TsOH, molecular sieves and solvent CCl₄. The yield is 89 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so peopel should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:BrCCCCCCCCCCC(=O)O
2. InChI:InChI=1/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)