3-Chloro-4-ethoxy-2-fluorophenylboronic acid supplier

Name
3-chloro-4-ethoxy-2-fluorophenylboronic acid
EINECS
CAS No. 909122-50-5
Article Data2
CAS DataBase
Density 1.349 g/cm³
Solubility
Melting Point
Formula C₈H₉BClFO₃
Boiling Point 342.779 °C at 760 mmHg
Molecular Weight 218.42
Flash Point 161.107 °C
Transport Information
Appearance White Powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronic acid, (3-chloro-4-ethoxy-2-fluorophenyl)- (9CI);
PSA 49.69000
LogP 0.55760

3-Chloro-4-ethoxy-2-fluorophenylboronic acid Specification

The 3-Chloro-4-ethoxy-2-fluorophenylboronic acid, with the CAS registry number 909122-50-5, is also known as Boronic acid, (3-chloro-4-ethoxy-2-fluorophenyl)- (9CI). This chemical's molecular formula is C₈H₉BClFO₃ and molecular weight is 218.42. What's more, its systematic name is (3-chloro-4-ethoxy-2-fluoro-phenyl)boronic acid.

Physical properties of 3-Chloro-4-ethoxy-2-fluorophenylboronic acid are: (1)ACD/LogP: 2.306; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.30; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 33.13; (6)ACD/BCF (pH 7.4): 23.04; (7)ACD/KOC (pH 5.5): 425.73; (8)ACD/KOC (pH 7.4): 296.08; (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: 1.52; (14)Molar Refractivity: 49.224 cm³; (15)Molar Volume: 161.875 cm³; (16)Polarizability: 19.514×10^-24cm³; (17)Surface Tension: 43.15 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 161.107 °C; (20)Enthalpy of Vaporization: 61.906 kJ/mol; (21)Boiling Point: 342.779 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1F)Cl)OCC)(O)O
(2)Std. InChI: InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(9(12)13)8(11)7(6)10/h3-4,12-13H,2H2,1H3
(3)Std. InChIKey: BSNGRABEOSVUSC-UHFFFAOYSA-N

Product Name

3-chloro-4-ethoxy-2-fluorophenylboronic acid

3-Chloro-4-ethoxy-2-fluorophenylboronic acid Specification

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