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Name
2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid
- EINECS
- CAS No. 874289-42-6
- Density 1.32 g/cm3
- Solubility
- Melting Point 146-148
- Formula C11H13BFNO3
- Boiling Point 471.4 °C at 760 mmHg
- Molecular Weight 237.04
- Flash Point 238.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
- Synonyms 2-Fluoro-5-(pyrrolidin-1-ylcarbonyl)benzeneboronic acid 98 %;
- PSA 60.77000
- LogP -0.32060
2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid Specification
The 2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid, with the CAS registry number of 874289-42-6, is also known as 2-Fluoro-5-(pyrrolidin-1-ylcarbonyl)benzeneboronic acid 98 %. It belongs to the product categories of blocks; BoronicAcids. This chemical's molecular formula is C11H13BFNO3 and molecular weight is 237.04. What's more, its systematic name is [2-Fluoro-5-(pyrrolidine-1-carbonyl)phenyl]boronic acid. Besides, it must be stored in a cool place.
Physical properties about the 2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.24; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 60.77Å2; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 58.5 cm3; (11)Molar Volume: 178.4 cm3; (12)Surface Tension: 52.2 dyne/cm; (13)Density: 1.32 g/cm3; (14)Flash Point: 238.9 °C; (15)Enthalpy of Vaporization: 77.34 kJ/mol; (16)Boiling Point: 471.4 °C at 760 mmHg; (17)Vapour Pressure: 1.09E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(c1cc(B(O)O)c(F)cc1)N2CCCC2
(2) InChI:InChI=1/C11H13BFNO3/c13-10-4-3-8(7-9(10)12(16)17)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
(3) InChIKey:LUWFRPUCEBPJIZ-UHFFFAOYAV
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