CAS No.16114-47-9,3,5-Dimethylisoxazole-4-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16114-47-9
Name:	3,5-Dimethylisoxazole-4-boronic acid
Article Data:	5

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

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Specification

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