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| CAS No.: | 31181-90-5 |
|---|---|
| Name: | 5-Bromopyridine-2-carbaldehyde |
| Article Data: | 57 |
| Molecular Structure: | |
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| Formula: | C6H4BrNO |
| Molecular Weight: | 186.008 |
| Synonyms: | Picolinaldehyde,5-bromo- (8CI);5-Bromo-2-formylpyridine;5-Bromo-2-pyridinaldehyde;5-Bromo-2-pyridinecarbaldehyde;5-Bromo-2-pyridinecarboxaldehyde; |
| EINECS: | -0 |
| Density: | 1.683 g/cm3 |
| Melting Point: | 93 °C |
| Boiling Point: | 237.707 °C at 760 mmHg |
| Flash Point: | 97.562 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Light yellow Cryst |
| Hazard Symbols: | 36/37/38-20/21/22:; |
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 22-26-36/37/39-36 |
| PSA: | 29.96000 |
| LogP: | 1.65660 |
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Specification
The 5-Bromopyridine-2-carbaldehyde, with CAS registry number 31181-90-5, belongs to the following product categories: (1)Aldehydes; (2)Blocks; (3)Bromides; (4)Pyridines; (5)Pyridine; (6)Carbonyl Compounds; (7)Heterocycles; (8)Pharmacetical; (9)Aldehyde; (10)Building Blocks. It has the systematic name of 5-bromopyridine-2-carbaldehyde. This chemical is a kind of light yellow cryst.
Physical properties of 5-Bromopyridine-2-carbaldehyde: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 129; (8)ACD/KOC (pH 7.4): 129; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 38.787 cm3; (15)Molar Volume: 110.508 cm3; (16)Polarizability: 15.376×10-24cm3; (17)Surface Tension: 52.157 dyne/cm; (18)Enthalpy of Vaporization: 47.454 kJ/mol; (19)Vapour Pressure: 0.044 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Bromopyridine-2-carbaldehyde irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1Br)C=O
(2)InChI: InChI=1/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H
(3)InChIKey: ZQVLPMNLLKGGIU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H
(5)Std. InChIKey: ZQVLPMNLLKGGIU-UHFFFAOYSA-N