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Basic Information
CAS No.: 92002-48-7
Name: 20-BROMO-1-EICOSANOL
Molecular Structure:
Molecular Structure of 92002-48-7 (20-BROMO-1-EICOSANOL)
Formula: C20H41BrO
Molecular Weight: 377.44
Synonyms: 20-BROMO-1-EICOSANOL;20-Bromoicosan-1-ol
Density: 1.021 g/cm3
Boiling Point: 440.1 °C at 760 mmHg
Flash Point: 135.7 °C
PSA: 20.23000
LogP: 7.39540
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Specification

The 1-Eicosanol, 20-bromo- is an organic compound with the formula C20H41BrO. The IUPAC name of this chemical is 20-bromoicosan-1-ol. With the CAS registry number 92002-48-7, it is also named as 20-Bromo-1-eicosanol. The product's category is Pharmacetical.

Physical properties about 1-Eicosanol, 20-bromo- are: (1)ACD/LogP: 9.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.24; (4)ACD/LogD (pH 7.4): 9.24; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2526397; (8)ACD/KOC (pH 7.4): 2526397; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 103.97 cm3; (15)Molar Volume: 369.3 cm3; (16)Polarizability: 41.21×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 135.7 °C; (20)Enthalpy of Vaporization: 80.47 kJ/mol; (21)Boiling Point: 440.1 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-09 mmHg at 25°C.

Preparation of 1-Eicosanol, 20-bromo-: this chemical can be prepared by eicosane-1,20-diol and 1,20-dibromo-eicosane. This reaction will need reagent 48 percent aq. HBr and solvent petroleum ether. The reaction time is 24 hours by heating. The yield is about 49%.

1-Eicosanol, 20-bromo- can be prepared by eicosane-1,20-diol and 1,20-dibromo-eicosane

Uses of 1-Eicosanol, 20-bromo-: it can be used to produce thiobenzoic acid S-(20-hydroxy-eicosyl) ester by heating. It will need solvent ethanol. The yield is about 50%.

1-Eicosanol, 20-bromo- and thiobenzoic acid can be used to produce thiobenzoic acid S-(20-hydroxy-eicosyl) ester

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCCCCCCO
(2)InChI: InChI=1/C20H41BrO/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h22H,1-20H2
(3)InChIKey: ZGNWCADSJRJNCQ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C20H41BrO/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h22H,1-20H2
(5)Std. InChIKey: ZGNWCADSJRJNCQ-UHFFFAOYSA-N