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CAS No.: | 212386-71-5 |
---|---|
Name: | 2,3-Difluoro-4-ethoxybenzeneboronic acid |
Article Data: | 8 |
Cas Database | |
Molecular Structure: | |
Formula: | C8H9BF2O3 |
Molecular Weight: | 201.965 |
Synonyms: | Boronicacid, (4-ethoxy-2,3-difluorophenyl)- (9CI); |
EINECS: | N/A |
Density: | 1.299 g/cm3 |
Melting Point: | 151-154 °C |
Boiling Point: | 315.98 °C at 760 mmHg |
Flash Point: | 144.9 °C |
Solubility: | N/A |
Appearance: | N/A |
Hazard Symbols: | Xi |
Risk Codes: | N/A |
Safety: | |
Transport Information: | N/A |
PSA: | 49.69000 |
LogP: | 0.04330 |
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The Boronicacid, B-(4-ethoxy-2,3-difluorophenyl)-, with CAS registry number 212386-71-5, belongs to the following product categories: (1)Ethoxy; (2)Blocks; (3)Boronic Acids; (4)Bromides. It has the systematic name of (4-ethoxy-2,3-difluorophenyl)boronic acid. Besides this, it is also called 2,3-Difluoro-4-ethoxybenzeneboronic acid. And the chemical formula of this chemical is C8H9BF2O3.
Physical properties of Boronicacid, B-(4-ethoxy-2,3-difluorophenyl)-: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 308; (8)ACD/KOC (pH 7.4): 206; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 155.526 cm3; (16)Polarizability: 17.645×10-24cm3; (17)Surface Tension: 37.59 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 144.9 °C; (20)Enthalpy of Vaporization: 58.835 kJ/mol; (21)Boiling Point: 315.98 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(c(F)c1F)B(O)O
(2)InChI: InChI=1/C8H9BF2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4,12-13H,2H2,1H3
(3)InChIKey: OBKSFBWOZSQGGC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H9BF2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4,12-13H,2H2,1H3
(5)Std. InChIKey: OBKSFBWOZSQGGC-UHFFFAOYSA-N