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10-Bromodecanoic acid

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Name

10-Bromodecanoic acid

EINECS N/A
CAS No. 50530-12-6 Density 1.247 g/cm3
PSA 37.30000 LogP 3.58670
Solubility Partly miscible in water. Melting Point 38-41 °C(lit.)
Formula C10H19BrO2 Boiling Point 339.2 °C at 760 mmHg
Molecular Weight 251.164 Flash Point 158.9 °C
Transport Information N/A Appearance White to light green Solid
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 50530-12-6 (10-Bromodecanoic acid) Hazard Symbols IrritantXi
Synonyms

Capricacid, i-bromo- (4CI);10-Bromodecanoicacid;

Article Data 21

10-Bromodecanoic acid Specification

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 
 

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