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2-Chloro-5-fluoropyridine-3-carbaldehyde

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Name

2-Chloro-5-fluoropyridine-3-carbaldehyde

EINECS N/A
CAS No. 851484-95-2 Density 1.444 g/cm3
PSA 29.96000 LogP 1.68660
Solubility N/A Melting Point N/A
Formula C6H3ClFNO Boiling Point 224.378 °C at 760 mmHg
Molecular Weight 159.547 Flash Point 89.501 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 851484-95-2 (2-CHLORO-5-FLUORO-PYRIDINE-3-CARBALDEHYDE) Hazard Symbols N/A
Synonyms

2-Chloro-5-fluoropyridine-3-carboxaldehyde;

Article Data 2

2-Chloro-5-fluoropyridine-3-carbaldehyde Specification

The 3-Pyridinecarboxaldehyde,2-chloro-5-fluoro-, with the CAS registry number 851484-95-2, is also known as 2-Chloro-5-fluoronicotinaldehyde. This chemical's molecular formula is C6H3ClFNO and molecular weight is 159.55. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-5-fluoropyridine-3-carbaldehyde.

Physical properties about 3-Pyridinecarboxaldehyde,2-chloro-5-fluoro- are: (1) ACD/LogP: 1.09; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.093; (4) ACD/LogD (pH 7.4): 1.093; (5) ACD/BCF (pH 5.5): 3.986; (6) ACD/BCF (pH 7.4): 3.986; (7) ACD/KOC (pH 5.5): 93.639; (8) ACD/KOC (pH 7.4): 93.639; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 29.96 Å2; (13) Index of Refraction: 1.565; (14) Molar Refractivity: 35.986 cm3; (15) Molar Volume: 110.484 cm3; (16) Surface Tension: 47.124 dyne/cm; (17) Density: 1.444 g/cm3; (18) Flash Point: 89.501 °C; (19) Enthalpy of Vaporization: 46.088 kJ/mol; (20) Boiling Point: 224.378 °C at 760 mmHg; (21) Vapour Pressure: 0.091 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(c1C=O)Cl)F
(2) InChI: InChI=1/C6H3ClFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-3H
(3) InChIKey: IMQFWCDQEAIYJV-UHFFFAOYAF

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