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| CAS No.: | 77332-79-7 |
|---|---|
| Name: | 3-CHLORO-4-IODOPYRIDINE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C5H3ClIN |
| Molecular Weight: | 239.443 |
| Synonyms: | 3-CHLORO-4-IODOPYRIDINE |
| Density: | 2.052 g/cm3 |
| Melting Point: | 105-106 °C |
| Boiling Point: | 245.001 °C at 760 mmHg |
| Flash Point: | 101.973 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.33960 |
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Specification
The 3-Chloro-4-iodopyridine, with the CAS registry number 77332-79-7, is also known as Pyridine, 3-chloro-4-iodo-. It belongs to the product categories of Compounds of pyridine; Pharmacetical; Halides; Pyridines. This chemical's molecular formula is C5H3ClIN and molecular weight is 239.44. What's more, its systematic name is 3-Chloro-4-iodopyridine.
Physical properties of 3-Chloro-4-iodopyridine are: (1)ACD/LogP: 3.325; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 198.02; (6)ACD/BCF (pH 7.4): 198.05; (7)ACD/KOC (pH 5.5): 1533.13; (8)ACD/KOC (pH 7.4): 1533.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 42.146 cm3; (15)Molar Volume: 116.681 cm3; (16)Polarizability: 16.708×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 2.052 g/cm3; (19)Flash Point: 101.973 °C; (20)Enthalpy of Vaporization: 46.255 kJ/mol; (21)Boiling Point: 245.001 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc(c1I)Cl
(2)Std. InChI: InChI=1S/C5H3ClIN/c6-4-3-8-2-1-5(4)7/h1-3H
(3)Std. InChIKey: SQXBYRRNGPVSAU-UHFFFAOYSA-N