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CAS No.: | 73290-22-9 |
---|---|
Name: | 2-Bromo-5-iodopyridine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C5H3BrIN |
Molecular Weight: | 283.894 |
Synonyms: | 5-Iodo-2-bromopyridine; |
EINECS: | -0 |
Density: | 2.347 g/cm3 |
Melting Point: | 121-123 °C(lit.) |
Boiling Point: | 278.6 °C at 760 mmHg |
Flash Point: | 122.3 °C |
Solubility: | insoluble in water |
Appearance: | white or off-white powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-36/39 |
PSA: | 12.89000 |
LogP: | 2.44870 |
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The IUPAC name of this chemical is 2-bromo-5-iodopyridine. With the CAS registry number 73290-22-9, it is also named as Pyridine, 2-bromo-5-iodo-. The product's categories are Pyridine; Halides; Pyridines; Heterocycle; Boronic Acid; C5 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Propidium Heterocyclic Series. It is white or off-white powder which is sensitive to light. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 2-Bromo-5-iodopyridine can be summarized as: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.45; (6)ACD/BCF (pH 7.4): 49.45; (7)ACD/KOC (pH 5.5): 567.93; (8)ACD/KOC (pH 7.4): 567.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 44.94 cm3; (14)Molar Volume: 120.9 cm3; (15)Polarizability: 17.81×10-24 cm3; (16)Surface Tension: 53.8 dyne/cm; (17)Enthalpy of Vaporization: 49.65 kJ/mol; (18)Vapour Pressure: 0.00714 mmHg at 25°C; (19)Exact Mass: 282.849355; (20)MonoIsotopic Mass: 282.849355; (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 not only harmful if swallowed, but also irritating to respiratory system and skin. And it also has risk of serious damage to the eyes. 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 and eye / face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Ic1cnc(Br)cc1
2. InChI:InChI=1/C5H3BrIN/c6-5-2-1-4(7)3-8-5/h1-3H
3. InChIKey:LLKRSJVPTKFSLS-UHFFFAOYAY