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Cyclohexylboronic Acid

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Name

Cyclohexylboronic Acid

EINECS 672-297-0
CAS No. 4441-56-9 Density 1 g/cm3
PSA 40.46000 LogP 0.79350
Solubility 25 g/L in water Melting Point 122-123 °C
Formula C6H13BO2 Boiling Point 252.4 °C at 760 mmHg
Molecular Weight 127.979 Flash Point 106.4 °C
Transport Information N/A Appearance White to light yellow crystal powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4441-56-9 (Cyclohexylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, cyclohexyl- (9CI);Cyclohexaneboronic acid (6CI,7CI,8CI);

Article Data 13

Cyclohexylboronic Acid 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,

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