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| CAS No.: | 192376-68-4 |
|---|---|
| Name: | 3-Fluoro-4-propoxyphenylboronic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C9H12BFO3 |
| Molecular Weight: | 198.00 |
| Synonyms: | Boronicacid, (3-fluoro-4-propoxyphenyl)- (9CI);(3-Fluoro-4-propoxyphenyl)boronic acid;Boronic acid, B-(3-fluoro-4-propoxyphenyl)-; |
| Density: | 1.184 g/cm3 |
| Melting Point: | 102-107 °C(lit.) |
| Boiling Point: | 339.465 °C at 760 mmHg |
| Flash Point: | 159.103 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 49.69000 |
| LogP: | 0.29430 |
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Specification
The 3-Fluoro-4-propoxyphenylboronic acid, with the CAS registry number 192376-68-4, is also known as Boronic acid, B-(3-fluoro-4-propoxyphenyl)-. This chemical's molecular formula is C9H12BFO3 and molecular weight is 198.00. What's more, its systematic name is (3-fluoro-4-propoxyphenyl)boronic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides.
Physical properties of 3-Fluoro-4-propoxyphenylboronic acid are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 52; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 591; (8)ACD/KOC (pH 7.4): 376; (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: 1.498; (14)Molar Refractivity: 49.028 cm3; (15)Molar Volume: 167.198 cm3; (16)Surface Tension: 38.999 dyne/cm; (17)Density: 1.184 g/cm3; (18)Flash Point: 159.103 °C; (19)Enthalpy of Vaporization: 61.524 kJ/mol; (20)Boiling Point: 339.465 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(OCCC)c(F)c1
(2)InChI: InChI=1S/C9H12BFO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6,12-13H,2,5H2,1H3
(3)InChIKey: JJBMFQWJHYCKRY-UHFFFAOYSA-N