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

Name
4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98
EINECS
CAS No. 282116-97-6
Article Data1
CAS DataBase
Density 1.22 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(2-Ethoxy-2-oxoethoxy)phenyl]boronicacid;4-(2-Ethoxy-2-oxoethoxy)benzeneboronic acid 98%;
PSA 75.99000
LogP -0.69170

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

Product Name

4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98

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

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