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| CAS No.: | 18263-25-7 |
|---|---|
| Name: | 2-BROMOHEXADECANOIC ACID |
| Molecular Structure: | |
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| Formula: | C16H31BrO2 |
| Molecular Weight: | 335.325 |
| Synonyms: | 1-Bromopentadecanecarboxylicacid;2-Bromo-n-hexadecanoic acid;2-Bromohexadecanoic acid;2-Bromopalmiticacid;DL-2-Bromopalmitate;NSC 58378;a-Bromopalmitic acid; |
| EINECS: | 242-137-0 |
| Density: | 1.114 g/cm3 |
| Melting Point: | 52-54 °C |
| Boiling Point: | 403.4 °C at 760 mmHg |
| Flash Point: | 197.8 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 5.92570 |
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Specification
The Hexadecanoic acid,2-bromo-, with the CAS registry number 18263-25-7, is also known as 2-Bromopalmitate. Its EINECS registry number is 242-137-0. This chemical's molecular formula is C16H31BrO2 and molecular weight is 335.32014. Its IUPAC name is called 2-bromohexadecanoic acid. This chemical's classification code is Hypoglycemic agents. It is white crystalline powder.
Physical properties of Hexadecanoic acid,2-bromo-: (1)ACD/LogP: 7.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 1456.37; (6)ACD/BCF (pH 7.4): 100.34; (7)ACD/KOC (pH 5.5): 1240.78; (8)ACD/KOC (pH 7.4): 85.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 85.42 cm3; (14)Molar Volume: 300.8 cm3; (15)Surface Tension: 36.6 dyne/cm; (16)Density: 1.114 g/cm3; (17)Flash Point: 197.8 °C; (18)Enthalpy of Vaporization: 71.84 kJ/mol; (19)Boiling Point: 403.4 °C at 760 mmHg; (20)Vapour Pressure: 1.23E-07 mmHg at 25°C.
Uses of Hexadecanoic acid,2-bromo-: it can be used to produce 2-bromo-hexadecanoic acid ethyl ester at temperature of 20 °C. This reaction will need reagent HCl. The yield is about 74%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)O)Br
(2)InChI: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
(3)InChIKey: DPRAYRYQQAXQPE-UHFFFAOYSA-N