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| CAS No.: | 97966-00-2 |
|---|---|
| Name: | 5-Bromo-2,3-dichloropyridine |
| Article Data: | 7 |
| Molecular Structure: | |
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|
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| Formula: | C5H2BrCl2N |
| Molecular Weight: | 226.888 |
| Synonyms: | 2,3-Dichloro-5-bromopyridine;3-Bromo-5,6-dichloropyridine; |
| EINECS: | -0 |
| Density: | 1.848 g/cm3 |
| Melting Point: | 35-37 °C |
| Boiling Point: | 233.6 °C at 760 mmHg |
| Flash Point: | 95.1 °C |
| Appearance: | Off white solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 12.89000 |
| LogP: | 3.15090 |
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Specification
This product is an organic compound with the formula C5H2BrCl2N. The IUPAC name of this chemical is 5-bromo-2,3-dichloropyridine. With the CAS registry number 97966-00-2, it is also named as Pyridine, 5-bromo-2,3-dichloro-. The product's categories are Pyridine Series; Heterocycle; Boronic Acid. In addition, the molecular weight is 226.89.
The other characteristics of 5-Bromo-2,3-dichloropyridine can be summarized as: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 118; (6)ACD/BCF (pH 7.4): 118; (7)ACD/KOC (pH 5.5): 1059; (8)ACD/KOC (pH 7.4): 1059; (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: 1.597; (14)Molar Refractivity: 41.824 cm3; (15)Molar Volume: 122.743 cm3; (16)Surface Tension: 48.344 dyne/cm; (17)Enthalpy of Vaporization: 45.122 kJ/mol; (18)Vapour Pressure: 0.084 mmHg at 25°C; (19)Exact Mass: 224.874767; (20)MonoIsotopic Mass: 224.874767; (21)Topological Polar Surface Area: 12.9; (22)Complexity: 101.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cnc(Cl)c(Cl)c1
2. InChI:InChI=1/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
3. InChIKey:XWSCOGPKWVNQSV-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
5. Std. InChIKey:XWSCOGPKWVNQSV-UHFFFAOYSA-N