Basic information
- Name:
Undecanoic acid,2-bromo-
- CAS No.:
2623-84-9
- Molecular Structure:
- Formula:
- C11H21BrO2
- Molecular Weight:
- 265.19
- Synonyms:
- Hendecanoicacid, 2-bromo- (4CI);2-Bromoundecanoic acid;
- EINECS:
- 220-081-8
- Density:
- 1.214 g/cm3
- Boiling Point:
- 329.4 °C at 760 mmHg
- Flash Point:
- 153 °C
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Specification
The Undecanoic acid,2-bromo-, with the CAS registry number 2623-84-9, is also known as Hendecanoicacid, 2-bromo- (4CI). Its EINECS number is 220-081-8. This chemical's molecular formula is C11H21BrO2 and molecular weight is 265.19. What's more, its systematic name is 2-bromoundecanoic acid.
Physical properties of Undecanoic acid,2-bromo- are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 14.16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45.23; (8)ACD/KOC (pH 7.4): 3.08; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 62.26 cm3; (15)Molar Volume: 218.2 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.214 g/cm3; (18)Flash Point: 153 °C; (19)Enthalpy of Vaporization: 62.86 kJ/mol; (20)Boiling Point: 329.4 °C at 760 mmHg; (21)Vapour Pressure: 3.5E-05 mmHg at 25°C.
Uses of Undecanoic acid,2-bromo-: it can be used to produce 2-(2-Hydroxyethylamino)undecanoic acid by heating. It will need reagent 5% KOH and solvent ethanol. The yield is about 54%.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)O)CCCCCCCCC
(2)InChI: InChI=1S/C11H21BrO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)
(3)InChIKey: NOLJPCPMOUBRJN-UHFFFAOYSA-N