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| CAS No.: | 111770-86-6 |
|---|---|
| Name: | 5-Bromo-2-ethynylpyridine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H4BrN |
| Molecular Weight: | 182.019 |
| Synonyms: | 5-Bromo-2-ethynylpyridine; |
| Density: | 1.6 g/cm3 |
| Melting Point: | 84-86℃ |
| Boiling Point: | 212.1 °C at 760 mmHg |
| Flash Point: | 82.1 °C |
| Appearance: | Light yellow liquid |
| PSA: | 12.89000 |
| LogP: | 1.82540 |
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Specification
The 5-Bromo-2-ethynylpyridine has the CAS registry number 111770-86-6. It belongs to the product categories of Pyridine; Pyridines. This chemical's molecular formula is C7H4BrN and molecular weight is 182.02. What's more, its IUPAC name is 5-bromo-2-ethynylpyridine.
Physical properties of 5-Bromo-2-ethynylpyridine are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)#H bond acceptors: 1; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 12.89 Å2; (8)Index of Refraction: 1.609; (9)Molar Refractivity: 39.33 cm3; (10)Molar Volume: 113.5 cm3; (11)Surface Tension: 55.4 dyne/cm; (12)Density: 1.6 g/cm3; (13)Flash Point: 82.1 °C; (14)Enthalpy of Vaporization: 43.01 kJ/mol; (15)Boiling Point: 212.1 °C at 760 mmHg; (16)Vapour Pressure: 0.256 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CC1=NC=C(C=C1)Br
(2)InChI: InChI=1S/C7H4BrN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
(3)InChIKey: VGLAJERHBBEPQP-UHFFFAOYSA-N