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| CAS No.: | 78607-36-0 |
|---|---|
| Name: | 2-Chloro-3-iodopyridine |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H3ClIN |
| Molecular Weight: | 239.443 |
| Synonyms: | 2-chloro-3-iodo-pyridine; |
| EINECS: | -0 |
| Density: | 2.052 g/cm3 |
| Melting Point: | 93-96 °C |
| Boiling Point: | 261.2 °C at 760 mmHg |
| Flash Point: | 111.8 °C |
| Appearance: | Off-white crystal |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-20/22 |
| Safety: | 36/37/39-26-22-36 |
| PSA: | 12.89000 |
| LogP: | 2.33960 |
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Specification
The IUPAC name of this chemical is 2-chloro-3-iodopyridine. With the CAS registry number 78607-36-0, it is also named as Pyridine, 2-chloro-3-iodo-. The product's categories are pyridine; pyridines, pyrimidines, purines and pteredines; pharmacetical; halides; halogenated; organohalides; nucleotides and nucleosides; chloropyridines; halopyridines; iodopyridines; bases & related reagents; nucleotides; boronic acid; propidium heterocyclic series. It is off-white crystal which is sensitive to light. In addition, 2-Chloro-3-iodopyridine can be used as pharmaceutical intermediate.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.78; (6)ACD/BCF (pH 7.4): 69.78; (7)ACD/KOC (pH 5.5): 726.7; (8)ACD/KOC (pH 7.4): 726.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 42.14 cm3; (14)Molar Volume: 116.6 cm3; (15)Polarizability: 16.7×10-24 cm3; (16)Surface Tension: 51.7 dyne/cm; (17)Enthalpy of Vaporization: 47.88 kJ/mol; (18)Vapour Pressure: 0.019 mmHg at 25°C; (19)Exact Mass: 238.89987; (20)MonoIsotopic Mass: 238.89987; (21)Topological Polar Surface Area: 12.9; (22)Heavy Atom Count: 8; (23)Complexity: 78.8.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed. And it is irritating to eyes, respiratory system and skin, so people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: Ic1cccnc1Cl;
2. InChI: InChI=1/C5H3ClIN/c6-5-4(7)2-1-3-8-5/h1-3H.