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The 5-Chloro-2-ethoxyphenylboronic acid, with CAS registry number 352534-86-2, belongs to the following product categories: (1)Boronicacid; (2)Blocks; (3)Aryl; (4)Boronic Acids; (5)Boronic Acids and Derivatives. Its systematic name and its IUPAC name are the same, which is (5-chloro-2-ethoxyphenyl)boronic acid. And the chemical formula of this chemical is C8H10BClO3.
Physical properties of 5-Chloro-2-ethoxyphenylboronic acid: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 49.11 cm3; (9)Molar Volume: 157.1 cm3; (10)Polarizability: 19.46×10-24cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Enthalpy of Vaporization: 64.85 kJ/mol; (13)Vapour Pressure: 4.58E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-2-ethoxyphenylboronic acid is very toxic by inhalation. This chemical may cause burns and it irritates to eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OCC)c(B(O)O)c1
(2)InChI: InChI=1/C8H10BClO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5,11-12H,2H2,1H3
(3)InChIKey: OSMBQNBPCSSVMT-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5,11-12H,2H2,1H3
(5)Std. InChIKey: OSMBQNBPCSSVMT-UHFFFAOYSA-N