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| CAS No.: | 417721-69-8 |
|---|---|
| Name: | 4-Chloro-3-iodo-pyridin-2-ylamine |
| Article Data: | 8 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H4ClIN2 |
| Molecular Weight: | 254.458 |
| Synonyms: | 2-Amino-4-chloro-3-iodopyridine; |
| Density: | 2.139 g/cm3 |
| Boiling Point: | 319.8 °C at 760 mmHg |
| Flash Point: | 147.2 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 38.91000 |
| LogP: | 2.50300 |
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Specification
The 4-Chloro-3-iodo-pyridin-2-ylamine, with the CAS registry number of 417721-69-8, is also known as 2-Amino-4-chloro-3-iodopyridine. Its molecular formula is C5H4ClIN2 and molecular weight is 254.4561. What's more, its IUPAC name is 4-Chloro-3-iodopyridin-2-amine.
Physical properties about the 4-Chloro-3-iodo-pyridin-2-ylamine are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 112.39; (6)ACD/BCF (pH 7.4): 113.27; (7)ACD/KOC (pH 5.5): 1019.87; (8)ACD/KOC (pH 7.4): 1027.87; (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: 1.707; (14)Molar Refractivity: 46.38 cm3; (15)Molar Volume: 118.9 cm3; (16)Surface Tension: 65.7 dyne/cm; (17)Density: 2.139 g/cm3; (18)Flash Point: 147.2 °C; (19)Enthalpy of Vaporization: 56.14 kJ/mol; (20)Boiling Point: 319.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00033 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccnc(N)c1I
(2) InChI: InChI=1/C5H4ClIN2/c6-3-1-2-9-5(8)4(3)7/h1-2H,(H2,8,9)
(3) InChIKey: BWMULFKDCVPGNF-UHFFFAOYAB