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| CAS No.: | 381233-96-1 |
|---|---|
| Name: | 2-AMINO-5-BROMO-3-IODOPYRIDINE |
| Article Data: | 32 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| Formula: | C5H4BrIN2 |
| Molecular Weight: | 298.909 |
| Synonyms: | 2-Amino-3-iodo-5-bromopyridine;5-Bromo-3-iodopyridin-2-amine; |
| Density: | 2.426 g/cm3 |
| Melting Point: | 111-112 °C |
| Boiling Point: | 308.2 °C at 760 mmHg |
| Flash Point: | 140.2 °C |
| Appearance: | Brown powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-41-37/38-22 |
| Safety: | 26-36/37/39-37 |
| PSA: | 38.91000 |
| LogP: | 2.61210 |
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Specification
The 2-Amino-5-bromo-3-iodopyridine is an organic compound with the formula C5H4BrIN2. The IUPAC name of this chemical is 5-bromo-3-iodopyridin-2-amine. With the CAS registry number 381233-96-1, it is also named as 2-Pyridinamine, 5-bromo-3-iodo-. The product's categories are Pharmacetical; Amines; Pyridine. It is brown powder which is sensitive to light. Additionally, this chemical should be sealed in the container and stored in the cool and well-ventilated place.
The other characteristics of 2-Amino-5-bromo-3-iodopyridine can be summarized as: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 221.85; (6)ACD/BCF (pH 7.4): 221.97; (7)ACD/KOC (pH 5.5): 1662.82; (8)ACD/KOC (pH 7.4): 1663.74; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 49.17 cm3; (15)Molar Volume: 123.1 cm3; (16)Surface Tension: 67.6 dyne/cm; (17)Enthalpy of Vaporization: 54.89 kJ/mol; (18)Vapour Pressure: 0.000691 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 297.860254; (21)MonoIsotopic Mass: 297.860254; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 9; (24)Complexity: 101.
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 eyes, respiratory system and skin. 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, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cnc(N)c(I)c1
2. InChI:InChI=1/C5H4BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
3. InChIKey:XPERZSKJGNUSHI-UHFFFAOYAO
4. Std. InChI:InChI=1S/C5H4BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
5. Std. InChIKey:XPERZSKJGNUSHI-UHFFFAOYSA-N