2-Fluoro-4-methoxycarbonylphenylboronic acid supplier

Name
2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID
EINECS
CAS No. 603122-84-5
Article Data2
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 173-175 °C
Formula C₈H₈BFO₄
Boiling Point 355.1 °C at 760 mmHg
Molecular Weight 197.959
Flash Point 168.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms [2-Fluoro-4-(methoxycarbonyl)phenyl]boronicacid;
PSA 66.76000
LogP -0.70790

2-Fluoro-4-methoxycarbonylphenylboronic acid Specification

The systematic name of 2-Fluoro-4-methoxycarbonylphenylboronic acid is (2-fluoro-4-methoxycarbonyl-phenyl)boronic acid. With the CAS registry number 603122-84-5, it is also named as Benzoic acid,4-borono-3-fluoro-, 1-methyl ester. The product's categories are blocks, boronicacids, carboxes, fluorocompounds, aryl, organoborons and boronic acid. Its molecular formula is C₈H₈BFO₄ and its molecular weight is 197.96. In addition, it should be stored to keep cold.

The other characteristics of 2-Fluoro-4-methoxycarbonylphenylboronic acid can be summarized as: (1)Nominal mass: 198; (2)Average mass: 197.9561; (3)Monoisotopic mass: 198.049968; (4)ACD/LogP: 1.82; (5)# of Rule of 5 Violations: 0; (6)ACD/LogD (pH 5.5): 1.82; (7)ACD/LogD (pH 7.4): 1.56; (8)H bond acceptors: 4; (9)H bond donors: 2; (10)Freely Rotating Bonds: 5; (11)Polar Surface Area: 66.76 Å²; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 44.51 cm³; (14)Molar Volume: 147.8 cm³; (15)Polarizability: 17.64×10^-24cm³; (16)Surface Tension: 44.9 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 168.6 °C; (19)Melting point: 173-175 °C; (20)Enthalpy of Vaporization: 63.34 kJ/mol; (21)Boiling Point: 355.1 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:OB(O)c1ccc(cc1F)C(=O)OC
InChI:InChI=1/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
InChIKey:BKWRLCIYMAYFPA-UHFFFAOYAY
Std. InChI:InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
Std. InChIKey:BKWRLCIYMAYFPA-UHFFFAOYSA-N

Product Name

2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID

2-Fluoro-4-methoxycarbonylphenylboronic acid Specification

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