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CAS No.: | 10386-27-3 |
---|---|
Name: | 2-Bromo-4-cyanopyridine |
Molecular Structure: | |
Formula: | C6H3BrN2 |
Molecular Weight: | 183.007 |
Synonyms: | Isonicotinonitrile,2-bromo- (6CI,7CI,8CI);2-Bromoisonicotinonitrile; |
Density: | 1.726 g/cm3 |
Melting Point: | 78-80 °C |
Boiling Point: | 243.375 °C at 760 mmHg |
Flash Point: | 100.99 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26-39 |
Transport Information: | UN 3439 |
PSA: | 36.68000 |
LogP: | 1.71578 |
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The 2-Bromo-4-cyanopyridine is an organic compound with the formula C6H3BrN2. The IUPAC name of this chemical is 2-bromopyridine-4-carbonitrile. With the CAS registry number 10386-27-3, it is also named as 2-Bromoisoniconinonitrile. The product's categories are Blocks; Bromides; Carboxes; Pyridines; Pyridine Series. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 2-Bromo-4-cyanopyridine can be summarized as: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 36.68 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 36.84 cm3; (9)Molar Volume: 106.023 cm3; (10)Polarizability: 14.604×10-24 cm3; (11)Surface Tension: 63.791 dyne/cm; (12)Enthalpy of Vaporization: 48.039 kJ/mol; (13)Vapour Pressure: 0.032 mmHg at 25°C; (14)Exact Mass: 181.947961; (15)MonoIsotopic Mass: 181.947961; (16)Topological Polar Surface Area: 36.7; (17)Heavy Atom Count: 9; (18)Complexity: 137.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cnc(cc1C#N)Br
2. InChI:InChI=1/C6H3BrN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
3. InChIKey:AWSJFEKOXQBDSL-UHFFFAOYAV
4. Std. InChI:InChI=1S/C6H3BrN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
5. Std. InChIKey:AWSJFEKOXQBDSL-UHFFFAOYSA-N