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71597-85-8

Basic Information
CAS No.: 71597-85-8
Name: 4-Hydroxyphenylboronic acid
Molecular Structure:
Molecular Structure of 71597-85-8 (4-Hydroxyphenylboronic acid)
Formula: C6H7BO3
Molecular Weight: 137.93
Synonyms: Boronic acid, B-(4-hydroxyphenyl)-;
EINECS: -0
Density: 1.32 g/cm3
Melting Point: >230 °C(lit.)
Boiling Point: 351.4 °C at 760 mmHg
Flash Point: 166.3 °C
Solubility: 25 g/L in water
Appearance: off-white to light brown powder
Hazard Symbols: IrritantXi, CorrosiveC
Risk Codes: 36/37/38-34
Safety: 26-36-37/39-45-36/37/39-27
Transport Information:
PSA: 60.69000
LogP: -0.92800
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  • 4-hydroxyphenylboronic acidCAS NO.: 71597-85-8

  • Casno:

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    71597-85-8

    4-Hydroxyphenylboronic acid

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  • Casno:

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    4-Hydroxyphenylboronic acid

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Specification

This chemical is called (4-Hydroxyphenyl)boronic acid. With the CAS registry number of 71597-85-8, its product categories are Blocks; Boronic Acids; Alcohols and Derivatives; Boron, Nitrile, Thio,& TM-Cpds; Organic acids; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids and Derivatives. Additionally, this chemical is off-white to light brown powder.

Other characteristics of the (4-Hydroxyphenyl)boronic acid can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.62; (6)ACD/BCF (pH 7.4): 2.55; (7)ACD/KOC (pH 5.5): 69.32; (8)ACD/KOC (pH 7.4): 67.57; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 34.81 cm3; (15)Molar Volume: 104.3 cm3; (16)Polarizability: 13.8×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 166.3 °C; (20)Enthalpy of Vaporization: 62.91 kJ/mol; (21)Boiling Point: 351.4 °C at 760 mmHg; (22)Vapour Pressure: 1.53E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting 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)c1ccc(O)cc1
2.InChI: InChI=1/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H
3.InChIKey: COIQUVGFTILYGA-UHFFFAOYAB