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| CAS No.: | 4441-56-9 |
|---|---|
| Name: | Cyclohexylboronic acid |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C6H13BO2 |
| Molecular Weight: | 127.979 |
| Synonyms: | Boronicacid, cyclohexyl- (9CI);Cyclohexaneboronic acid (6CI,7CI,8CI); |
| EINECS: | 672-297-0 |
| Density: | 1 g/cm3 |
| Melting Point: | 122-123 °C |
| Boiling Point: | 252.4 °C at 760 mmHg |
| Flash Point: | 106.4 °C |
| Solubility: | 25 g/L in water |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 40.46000 |
| LogP: | 0.79350 |
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Specification
The Cyclohexylboronic Acid with the cas number 4441-56-9. It is also called 2-methylalanine, which is also it's systematic name. It seems like white to light yellow crystal powder. It belongs to the flollowing product categories: (1)Boronic Acids & Esters; (2)Heterocyclic Compounds; (3)Boronic acid; (4)Organoborons; (5)Boronic Acids; (6)Boronic Acids & Esters; (7)Ring Systems; (8)Alkyl; (9)Boronic Acids; (10)Boronic Acids and Derivatives. It is should be stored at refrigerator (+4°C).
Properties of Cyclohexylboronic Acid are: (1)#H bond acceptors: 2 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 18.46 Å2 ; (5)Index of Refraction: 1.452 ; (6)Molar Refractivity: 34.29 cm3 ; (7)Molar Volume: 127 cm3 ; (8)Polarizability: 13.59 ×10-24cm3 ; (9)Surface Tension: 33.9 dyne/cm ; (10)Density: 1 g/cm3 ; (11)Flash Point: 106.4 °C ; (12)Enthalpy of Vaporization: 56.89 kJ/mol ; (13)Boiling Point: 252.4 °C at 760 mmHg ; (14)Vapour Pressure: 0.00302 mmHg at 25°C
Preparation of Cyclohexylboronic Acid: It can be prepared by reacion of Grignard reagent and boric acid ester. Then alkaline hydrolysis, adjust pH value, extraction, arefaction then obtained white powder.
When you are using Actinomycin D, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure :
(1). SMILES:OB(O)C1CCCCC1
(2).InChI:InChI=1/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
Toxic information of Cyclohexylboronic Acid can be showed as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02141, |