CAS No.269409-70-3,4-Hydroxyphenylboronic acid pinacol ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	269409-70-3
Name:	4-Hydroxyphenylboronic acid pinacol ester
Article Data:	58

Formula:	C₁₂H₁₇BO₃
Molecular Weight:	220.076
Synonyms:	2-(4-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenol;
EINECS:	627-688-0
Density:	1.088 g/cm³
Melting Point:	113-117 °C(lit.)
Boiling Point:	333.23°C at 760 mmHg
Flash Point:	155.691 °C
Solubility:	Insoluble in water
Appearance:	yellow to light brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	38.69000
LogP:	1.69140

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Specification

The 4-Hydroxyphenylboronic acid pinacol ester, with the CAS registry number 269409-70-3, is also known as Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. It belongs to the product categories of Boronic Acids; B (Classes of Boron Compounds); Boronic Acids Esters; Boronic Acid; Chiral Chemicals; Organic or Inorganic Borate; Aryl Boronate Esters; Boronate Esters; Boronic Acids and Derivatives; Chemical Synthesis; Organometallic Reagents. This chemical's molecular formula is C₁₂H₁₇BO₃ and molecular weight is 220.07. What's more, both its IUPAC name and systematic name are the same which is called 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol. It should be stored in a cool, dry and well-ventilated place. This chemical is widely used in Suzuki coupling chemistry.

Physical properties about 4-Hydroxyphenylboronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 38.69 Å²; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 60.986 cm³; (7)Molar Volume: 202.338 cm³; (8)Polarizability: 24.177×10^-24cm³; (9)Surface Tension: 36.425 dyne/cm; (10)Density: 1.088 g/cm³; (11)Flash Point: 155.691 °C; (12)Enthalpy of Vaporization: 59.959 kJ/mol; (13)Boiling Point: 333.823 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O1B(OC(C)(C)C1(C)C)c2ccc(O)cc2
(2) InChI: InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3
(3) InChIKey: BICZJRAGTCRORZ-UHFFFAOYSA-N