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Acetic acid,(4-boronophenoxy)-, 1-ethyl ester (9CI)

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Name

Acetic acid,(4-boronophenoxy)-, 1-ethyl ester (9CI)

EINECS N/A
CAS No. 282116-97-6 Density 1.22 g/cm3
PSA 75.99000 LogP -0.69170
Solubility N/A Melting Point 145-147 °C
Formula C10H13BO5 Boiling Point 383.2 °C at 760 mmHg
Molecular Weight 224.021 Flash Point 185.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 282116-97-6 (4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98) Hazard Symbols IrritantXi
Synonyms

[4-(2-Ethoxy-2-oxoethoxy)phenyl]boronicacid;4-(2-Ethoxy-2-oxoethoxy)benzeneboronic acid 98%;

Article Data 1

Acetic acid,(4-boronophenoxy)-, 1-ethyl ester (9CI) 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

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