CAS No.282116-97-6,4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	282116-97-6
Name:	4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98
Article Data:	1

Formula:	C₁₀H₁₃BO₅
Molecular Weight:	224.021
Synonyms:	[4-(2-Ethoxy-2-oxoethoxy)phenyl]boronicacid;4-(2-Ethoxy-2-oxoethoxy)benzeneboronic acid 98%;
Density:	1.22 g/cm³
Melting Point:	145-147 °C
Boiling Point:	383.2 °C at 760 mmHg
Flash Point:	185.5 °C
Hazard Symbols:	Xi
PSA:	75.99000
LogP:	-0.69170

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Specification

The CAS register number of Acetic acid,(4-boronophenoxy)-, 1-ethyl ester (9CI) is 282116-97-6. The systematic name about this chemical is [4-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid. The molecular formula about this chemical is C₁₀H₁₃BO₅ and the molecular weight is 224.0187. It belongs to the following product categories which include blocks; BoronicAcids; Carboxes and so on. This chemical is irritant and may cause inflammation to the skin or other mucous membranes. If you want to store it, please keep cold.

Physical properties about Acetic acid,(4-boronophenoxy)-, 1-ethyl ester (9CI) are: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.29; (4)ACD/BCF (pH 5.5): 5.84; (5)ACD/BCF (pH 7.4): 5.51; (6)ACD/KOC (pH 5.5): 123.04; (7)ACD/KOC (pH 7.4): 116.18; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 75.99 Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 55.4 cm³; (14)Molar Volume: 182.1 cm³; (15)Polarizability: 21.96x10^-24cm³; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 185.5 °C; (19)Enthalpy of Vaporization: 66.63 kJ/mol; (20)Boiling Point: 383.2 °C at 760 mmHg; (21)Vapour Pressure: 1.48E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(OCC(=O)OCC)cc1
(2)InChI: InChI=1/C10H13BO5/c1-2-15-10(12)7-16-9-5-3-8(4-6-9)11(13)14/h3-6,13-14H,2,7H2,1H3
(3)InChIKey: MECJJOCHJYCOJS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H13BO5/c1-2-15-10(12)7-16-9-5-3-8(4-6-9)11(13)14/h3-6,13-14H,2,7H2,1H3
(5)Std. InChIKey: MECJJOCHJYCOJS-UHFFFAOYSA-N