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Name |
2,3-Difluoro-4-propoxylphenylboronic acid |
EINECS | N/A |
CAS No. | 212837-49-5 | Density | 1.256 g/cm3 |
PSA | 49.69000 | LogP | 0.43340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11BF2O3 | Boiling Point | 328.566 °C at 760 mmHg |
Molecular Weight | 215.99 | Flash Point | 152.511 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Boronic acid, (2,3-difluoro-4-propoxyphenyl)- (9CI);2,3-Difluoro-4-propyloxyphenylboric acid; |
The 2,3-Difluoro-4-propoxylphenylboronic acid, with the CAS registry number 212837-49-5, is also known as Boronic acid, (2,3-difluoro-4-propoxyphenyl)- (9CI). This chemical's molecular formula is C9H11BF2O3 and molecular weight is 215.99. What's more, its systematic name is (2,3-Difluoro-4-propoxyphenyl)boronic acid.
Physical properties of 2,3-Difluoro-4-propoxylphenylboronic acid are: (1)ACD/LogP: 2.581; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.30; (5)ACD/BCF (pH 5.5): 53.25; (6)ACD/BCF (pH 7.4): 27.92; (7)ACD/KOC (pH 5.5): 596.88; (8)ACD/KOC (pH 7.4): 312.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 49.141 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 19.481×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.256 g/cm3; (19)Flash Point: 152.511 °C; (20)Enthalpy of Vaporization: 60.271 kJ/mol; (21)Boiling Point: 328.566 °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)F)OCCC)(O)O
(2)Std. InChI: InChI=1S/C9H11BF2O3/c1-2-5-15-7-4-3-6(10(13)14)8(11)9(7)12/h3-4,13-14H,2,5H2,1H3
(3)Std. InChIKey: CWSUICOAENAGCO-UHFFFAOYSA-N