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CAS No.: | 246847-98-3 |
---|---|
Name: | 2-Amino-5-chloro-3-fluoropyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H4ClFN2 |
Molecular Weight: | 146.55 |
Synonyms: | 2-Amino-3-fluoro-5-chloropyridine;5-Chloro-3-fluoropyridin-2-amine; |
EINECS: | 253-700-5 |
Density: | 1.45 g/cm3 |
Melting Point: | 95-97℃ |
Boiling Point: | 195.929 °C at 760 mmHg |
Flash Point: | 72.295 °C |
Hazard Symbols: | T; Xi |
Risk Codes: | 23/24/25-50 |
Safety: | 36/37-38-45-61-63 |
PSA: | 38.91000 |
LogP: | 2.03750 |
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The 2-Amino-5-chloro-3-fluoropyridine is an organic compound with the formula C5H4ClFN2. The IUPAC name of this chemical is 2-Amino-5-chloro-3-fluoropyridine is 5-chloro-3-fluoropyridin-2-amine. With the CAS registry number 246847-98-3, it is also named as 2-Pyridinamine,5-chloro-3-fluoro-. The product's categories are Pyridine; Amines; blocks; FluoroCompounds; Pyridines; Amines and Anilines; Heterocycles.
Physical properties about 2-Amino-5-chloro-3-fluoropyridine are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 170; (8)ACD/KOC (pH 7.4): 170; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 33.469 cm3; (15)Molar Volume: 101.098 cm3; (16)Polarizability: 13.268×10-24cm3; (17)Surface Tension: 51.061 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 72.295 °C; (20)Enthalpy of Vaporization: 43.213 kJ/mol; (21)Boiling Point: 195.929 °C at 760 mmHg; (22)Vapour Pressure: 0.409 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc1cnc(N)c(F)c1
(2)InChI:InChI=1/C5H4ClFN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
(3)InChIKey:FPUPPVDVOFJSEP-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C5H4ClFN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
(5)Std. InChIKey:FPUPPVDVOFJSEP-UHFFFAOYSA-N