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

Acetic acid,(4-boronophenoxy)-, 1-ethyl ester (9CI) CAS NO.282116-97-6

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Keywords

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

Quick Details

  • ProName: Acetic acid,(4-boronophenoxy)-, 1-ethy...
  • CasNo: 282116-97-6
  • Application: The CAS register number of Acetic acid...
  • ProductionCapacity: Metric Ton/Day
  • Purity: 99
  • Transportation: The CAS register number of Acetic acid...
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Superiority

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

Details

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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