10-Bromodecanoic acid

The Decanoic acid,10-bromo-, with its CAS registry number 50530-12-6, has the IUPAC name of 10-bromodecanoic acid. This chemical is irritant and may cause inflammation to the skin or other mucous membranes. Besides, it is usually applied as the organic synthesis intermediate, with the product categories including Organic acids; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C10; Carbonyl Compounds; Carboxylic Acids.

The characteristics of this chemical are as below: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 76.02; (6)ACD/BCF (pH 7.4): 1.22; (7)ACD/KOC (pH 5.5): 458.53; (8)ACD/KOC (pH 7.4): 7.35; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 57.67 cm³; (15)Molar Volume: 201.4 cm³; (16)Polarizability: 22.86×10^-24 cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 158.9 °C; (20)Enthalpy of Vaporization: 64.03 kJ/mol; (21)Boiling Point: 339.2 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-05 mmHg at 25°C; (23)Exact Mass: 250.056842; (24)MonoIsotopic Mass: 250.056842; (25)Topological Polar Surface Area: 37.3; (26)Heavy Atom Count: 13; (27)Complexity: 126; (28)Covalently-Bonded Unit Count: 1.

Production method of this chemical is below: 10-hydroxy-decanoic acid could react to produce Decanoic acid,10-bromo-. This reaction could happen in the presence of the reagent of acetic acid and hydrogen bromide.

Use of this chemical: Decanoic acid,10-bromo- could react to produce 10-iodo-decanoic acid. This reaction could happen in the presence of the reagent of acetone and NaI.

In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CCCCC(=O)O)CCCCBr
(2)InChI: InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
(3)InChIKey: PGVRSPIEZYGOAD-UHFFFAOYSA-N