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CAS No.: | 882679-90-5 |
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Name: | 5-CHLORO-2-FLUORONICOTINALDEHYDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H3ClFNO |
Molecular Weight: | 159.547 |
Synonyms: | 5-Chloro-2-fluoropyridine-3-carboxaldehyde; |
Density: | 1.444 g/cm3 |
Boiling Point: | 238.257 °C at 760 mmHg |
Flash Point: | 97.894 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 29.96000 |
LogP: | 1.68660 |
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This chemical is called 3-Pyridinecarboxaldehyde, 5-chloro-2-fluoro-, and its systematic name is 5-Chloro-2-fluoro-pyridine-3-carbaldehyde. With the molecular formula of C6H3ClFNO, its molecular weight is 159.55. The CAS registry number of this chemical is 882679-90-5. Additionally, its product categories are Heterocyclic Compounds; Boronic Acid.
Other characteristics of the 3-Pyridinecarboxaldehyde, 5-chloro-2-fluoro- can be summarised as followings: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.545; (4)ACD/LogD (pH 7.4): 0.545; (5)ACD/BCF (pH 5.5): 1.529; (6)ACD/BCF (pH 7.4): 1.529; (7)ACD/KOC (pH 5.5): 47.155; (8)ACD/KOC (pH 7.4): 47.155; (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)Polarizability: 14.266×10-24cm3; (17)Surface Tension: 47.124 dyne/cm; (18)Density: 1.444 g/cm3; (19)Flash Point: 97.894 °C; (20)Enthalpy of Vaporization: 47.511 kJ/mol; (21)Boiling Point: 238.257 °C at 760 mmHg; (22)Vapour Pressure: 0.043 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(cnc(c1C=O)F)Cl
2.InChI: InChI=1/C6H3ClFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
3.InChIKey: OAGTZGCJLKCEEY-UHFFFAOYAH