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CAS No.: | 138006-41-4 |
---|---|
Name: | 3-BROMO-2,5-DICHLOROPYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H2BrCl2N |
Molecular Weight: | 226.888 |
Synonyms: | 3-Bromo-2,5-dichloropyridine; |
Density: | 1.848 g/cm3 |
Melting Point: | 38-40 °C |
Boiling Point: | 239 °C at 760mmHg |
Flash Point: | 98.3 °C |
Solubility: | insoluble in water |
Appearance: | White or cream-colored powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
Transport Information: | UN 2811 |
PSA: | 12.89000 |
LogP: | 3.15090 |
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The IUPAC name of this chemical is 3-bromo-2,5-dichloropyridine. With the CAS registry number 138006-41-4, it is also named as 2,5-Dichloro-3-bromo-pyridine. The product's categories are Pyridine; Halides; Pyridines; Boronic Acid; Variety of Halogenated Heterocyclic Series. It is white or cream-colored powder which is insoluble in water. In addition, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 3-Bromo-2,5-dichloropyridine can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 123.13; (6)ACD/BCF (pH 7.4): 123.13; (7)ACD/KOC (pH 5.5): 1091.15; (8)ACD/KOC (pH 7.4): 1091.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 41.82 cm3; (14)Molar Volume: 122.7 cm3; (15)Polarizability: 16.58×10-24 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Enthalpy of Vaporization: 45.66 kJ/mol; (18)Vapour Pressure: 0.0634 mmHg at 25°C; (19)Exact Mass: 224.874767; (20)MonoIsotopic Mass: 224.874767; (21)Topological Polar Surface Area: 12.9; (22)Heavy Atom Count: 9; (23)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:Clc1cnc(Cl)c(Br)c1
2. InChI:InChI=1/C5H2BrCl2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
3. InChIKey:CDBHWRZEXFQNBI-UHFFFAOYAK
4. Std. InChI:InChI=1S/C5H2BrCl2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
5. Std. InChIKey:CDBHWRZEXFQNBI-UHFFFAOYSA-N