2-CHLORO-3-FLUOROPYRIDINE-5-BORONIC ACID supplier

Name
2-CHLORO-3-FLUOROPYRIDINE-5-BORONIC ACID
EINECS
CAS No. 1072946-66-7
Article Data1
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₅H₄BClFNO₂
Boiling Point 325.4 °C at 760 mmHg
Molecular Weight 175.355
Flash Point 150.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-chloro-5-fluoropyridin-3-ylboronic acid; 2-Chloro-3-fluoropyridyl-5-boronic acid; 6-Chloro-5-fluoropyridin-3-yl-3-boronic acid; 2-CHLORO-3-FLUOROPYRIDINE-5-BORONIC ACID;
PSA 53.35000
LogP -0.44610

2-CHLORO-3-FLUOROPYRIDINE-5-BORONIC ACID Specification

This chemical is called Boronicacid, B-(6-chloro-5-fluoro-3-pyridinyl)-, and its systematic name is (6-Chloro-5-fluoro-3-pyridyl)boronic acid. With the molecular formula of C₅H₄BClFNO₂, its molecular weight is 175.35. The CAS registry number of the chemical is 1072946-66-7. Additionally, its product category is Boronic Acid.

Other characteristics of Boronicacid, B-(6-chloro-5-fluoro-3-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å²; (8)Index of Refraction: 1.533; (9)Molar Refractivity: 36.02 cm³; (10)Molar Volume: 116 cm³; (11)Polarizability: 14.28×10^-24cm³; (12)Surface Tension: 52.1 dyne/cm; (13)Density: 1.51 g/cm³; (14)Flash Point: 150.6 °C; (15)Enthalpy of Vaporization: 59.91 kJ/mol; (16)Boiling Point: 325.4 °C at 760 mmHg; (17)Vapour Pressure: 9.4E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(cnc1Cl)B(O)O
2.InChI: InChI=1/C5H4BClFNO2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2,10-11H
3.InChIKey: NWEKVQKALFWZHQ-UHFFFAOYAP
4.Std. InChI: InChI=1S/C5H4BClFNO2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2,10-11H
5.Std. InChIKey: NWEKVQKALFWZHQ-UHFFFAOYSA-N

Product Name

2-CHLORO-3-FLUOROPYRIDINE-5-BORONIC ACID

2-CHLORO-3-FLUOROPYRIDINE-5-BORONIC ACID Specification

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