Products Categories
CAS No.: | 16114-47-9 |
---|---|
Name: | 3,5-Dimethylisoxazole-4-boronic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H8BNO3 |
Molecular Weight: | 140.934 |
Synonyms: | 4-Isoxazoleboronicacid, 3,5-dimethyl- (8CI);Boronic acid,(3,5-dimethyl-4-isoxazolyl)- (9CI);3,5-Dimethylisoxazol-4-ylboronic acid;[3,5-Dimethyl-4-isoxazol-4-yl]boronic acid; |
Density: | 1.234 g/cm3 |
Melting Point: | 108-113 °C |
Boiling Point: | 333.977 °C at 760 mmHg |
Flash Point: | 155.784 °C |
Appearance: | White to light yellow crystal powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 36/37/39-3-26-36 |
PSA: | 66.49000 |
LogP: | -1.02880 |
What can I do for you?
Get Best Price
The 3,5-Dimethylisoxazole-4-boronic acid is an organic compound with the formula C5H8BNO3. The IUPAC name of this chemical is (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid. With the CAS registry number 16114-47-9, it is also named as Boronic acid, B-(3,5-dimethyl-4-isoxazolyl)-. The product's categories are Boronic Acids & Esters; Oxazoles, Isoxazoles & Benzoxazoles; Boronic Acids; Boronic Acid; Isoxazole; Organoborons; Boronic Acids & Esters; Oxazoles, Isoxazoles & Benzoxazoles. Besides, it is a white to light yellow crystal powder, which should be stored at temperature of 0 - 6 °C.
Physical properties about 3,5-Dimethylisoxazole-4-boronic acid are: (1)ACD/LogP: 0.49; (2)ACD/LogD (pH 5.5): 0.299; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 28.328; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.49Å2; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 32.816 cm3; (13)Molar Volume: 114.22 cm3; (14)Polarizability: 13.009×10-24cm3; (15)Surface Tension: 46.983 dyne/cm; (16)Density: 1.234 g/cm3; (17)Flash Point: 155.784 °C; (18)Enthalpy of Vaporization: 60.892 kJ/mol; (19)Boiling Point: 333.977 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(noc1C)C)(O)O
(2)InChI: InChI=1/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
(3)InChIKey: DIIFZCPZIRQDIJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
(5)Std. InChIKey: DIIFZCPZIRQDIJ-UHFFFAOYSA-N