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| CAS No.: | 56523-59-2 |
|---|---|
| Name: | 15-Bromopentadecanoic acid |
| Molecular Structure: | |
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| Formula: | C15H29BrO2 |
| Molecular Weight: | 321.298 |
| Synonyms: | 15-BROMOPENTADECANOIC ACID |
| Density: | 1.131g/cm3 |
| Melting Point: | 66-69 °C |
| Boiling Point: | 409.4 °C at 760 mmHg |
| Flash Point: | 201.4 °C |
| Safety: | 22-24/25 |
| PSA: | 37.30000 |
| LogP: | 5.53720 |
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Specification
The 15-Bromopentadecanoic acid, with CAS registry number 56523-59-2, has the systematic name of 15-bromopentadecanoic acid. Besides this, it is also called pentadecanoic acid, 15-bromo-. And the chemical formula of this chemical is C15H29BrO2. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties of 15-Bromopentadecanoic acid: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 3.89; (5)ACD/BCF (pH 5.5): 7965.95; (6)ACD/BCF (pH 7.4): 127.79; (7)ACD/KOC (pH 5.5): 12818.01; (8)ACD/KOC (pH 7.4): 205.63; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 80.83 cm3; (15)Molar Volume: 283.9 cm3; (16)Polarizability: 32.04×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 201.4 °C; (20)Enthalpy of Vaporization: 72.59 kJ/mol; (21)Boiling Point: 409.4 °C at 760 mmHg; (22)Vapour Pressure: 7.52E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by oxacyclohexadecan-2-one. This reaction will need reagents HBr, H2SO4. The reaction time is 3.5 day(s). The yield is about 98%.
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Uses of 15-Bromopentadecanoic acid: it can be used to produce oxacyclohexadecan-2-one. This reaction will need reagents potassium carbonate, butanone.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C15H29BrO2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h1-14H2,(H,17,18)
(3)InChIKey: OLACPKKVZSLCSI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H29BrO2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h1-14H2,(H,17,18)
(5)Std. InChIKey: OLACPKKVZSLCSI-UHFFFAOYSA-N