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| CAS No.: | 67443-38-3 |
|---|---|
| Name: | 5-Bromo-2-chloro-3-nitropyridine |
| Article Data: | 29 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H2BrClN2O2 |
| Molecular Weight: | 237.44 |
| Synonyms: | 2-Chloro-3-nitro-5-bromopyridine;2-chloro-5-bromo-3-nitropyridine; |
| EINECS: | -0 |
| Density: | 1.936 g/cm3 |
| Melting Point: | 64-69 ºC |
| Boiling Point: | 285.4 ºC at 760 mmHg |
| Flash Point: | 126.4 ºC |
| Appearance: | light yellow powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-21/22 |
| Safety: | 37/39-26 |
| PSA: | 58.71000 |
| LogP: | 2.92890 |
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Specification
The IUPAC name of this chemical is 5-bromo-2-chloro-3-nitropyridine. With the CAS registry number 67443-38-3, it is also named as Pyridine, 5-bromo-2-chloro-3-nitro-. The poduct's categories are Compounds of Pyridine; Pyridines; Blocks; Bromides; Pyridine; Heterocyclic Compounds; Boronic Acid. It is light yellow powder which should be stored in the cool and dry place.
The other characteristics of 5-Bromo-2-chloro-3-nitropyridine can be summarized as: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.63; (6)ACD/BCF (pH 7.4): 13.63; (7)ACD/KOC (pH 5.5): 225.77; (8)ACD/KOC (pH 7.4): 225.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 43.47 cm3; (14)Molar Volume: 122.6 cm3; (15)Polarizability: 17.23×10-24 cm3; (16)Surface Tension: 61.3 dyne/cm; (17)Enthalpy of Vaporization: 50.34 kJ/mol; (18)Vapour Pressure: 0.00483 mmHg at 25°C; (19)Exact Mass: 235.898818; (20)MonoIsotopic Mass: 235.898818; (21)Topological Polar Surface Area: 58.7; (22)Heavy Atom Count: 11; (23)Complexity: 163.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. 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 gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1cc(Br)cnc1Cl
2. InChI:InChI=1/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
3. InChIKey:WWQQPSDIIVXFOX-UHFFFAOYAH
4. Std. InChI:InChI=1S/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
5. Std. InChIKey:WWQQPSDIIVXFOX-UHFFFAOYSA-N