| Identification | More | [Name]
1-Hexaneboronic acid | [CAS]
16343-08-1 | [Synonyms]
1-HEXANEBORONIC ACID
HEXYLBORONIC ACID
N-HEXYLBORONIC ACID
RARECHEM AH PB 0225
N-HexaNeboroNic acid
Hexylboronicacid,min.97%
1-Hexylboronic acid, 97%
Hexylboronic Acid (contains varying amounts of Anhydride)
Hexylboronic acid, min. 97% | [EINECS(EC#)]
605-325-7 | [Molecular Formula]
C6H15BO2 | [MDL Number]
MFCD01074641 | [Molecular Weight]
129.99 | [MOL File]
16343-08-1.mol |
| Chemical Properties | Back Directory | [Appearance]
White flakes | [Melting point ]
88-90°C | [Boiling point ]
226.5±23.0 °C(Predicted) | [density ]
0.899±0.06 g/cm3(Predicted) | [storage temp. ]
0-6°C | [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
10.35±0.43(Predicted) | [color ]
white to off-white | [Water Solubility ]
2.5 g/100 mL | [Sensitive ]
Air Sensitive | [BRN ]
1736080 | [InChI]
InChI=1S/C6H15BO2/c1-3-4-5-6(2)7(8)9/h6,8-9H,3-5H2,1-2H3 | [InChIKey]
UEJXLUYRKTWOMH-UHFFFAOYSA-N | [SMILES]
CC(B(O)O)CCCC | [CAS DataBase Reference]
16343-08-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing . | [Hazard Note ]
Irritant | [HS Code ]
2931.90.9051 |
| Hazard Information | Back Directory | [Chemical Properties]
White flakes | [Uses]
1-Hexaneboronic acid serves as a precursor to ester derivatives, reacting with propane-1,3-diol under reflux in toluene with azeotropic water removal to give the corresponding liquid ester after distillation. Samples of the acid were used to examine the oxidative and hydrolytic stabilities of an alkaneboronic acid, which remained stable under normal storage conditions[1]. | [Synthesis]
1-Hexaneboronic acid is obtained by adding hexylmagnesium bromide in ether dropwise over three hours to tributyl borate in ether at -60 to -70 °C with vigorous stirring, followed by dilute sulphuric acid, slow warming, neutralisation with sodium hydroxide and repeated reduced-pressure evaporation to remove butan-1-ol as an azeotrope with water, crystallising in 65% yield[1]. In a related Grignard route, pure n-hexyl bromide is converted to the Grignard reagent, which is added to pure methyl borate at -75 °C; the crude acid is crystallised from water and then ethylene dichloride to give white crystals melting at 88-90 °C[2]. | [References]
[1]
Osborne, B. (1976). Synthetic routes to hydroxyaucanebobonic acids and their derivatives. https://gala.gre.ac.uk/id/eprint/8984
[2]
Snyder, H. R., Kuck, J. A., Johnson, J. R. (1938). Organoboron Compounds, and the Study of Reaction Mechanisms. Primary Aliphatic Boronic Acids 1. Journal of the American Chemical Society, 60(1), 105–111. https://doi.org/10.1021/ja01268a033 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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