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| CAS No.: | 2795-41-7 |
|---|---|
| Name: | 6-FLUOROINDOLE-3-CARBOXALDEHYDE |
| Article Data: | 28 |
| Molecular Structure: | |
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|
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| Formula: | C9H6FNO |
| Molecular Weight: | 163.151 |
| Synonyms: | 6-Fluoro-1H-indole-3-carboxaldehyde;Indole-3-carboxaldehyde,6-fluoro- (7CI,8CI);6-Fluoroindole-3-carboxaldehyde;NSC 96903; |
| Density: | 1.385 g/cm3 |
| Melting Point: | 174-178°C |
| Boiling Point: | 342.4 °C at 760 mmHg |
| Flash Point: | 160.9 °C |
| Solubility: | Soluble in methanol |
| Appearance: | Yellowish to light brownish powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 32.86000 |
| LogP: | 2.11950 |
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Specification
The 1H-Indole-3-carboxaldehyde,6-fluoro-, with the CAS registry number 2795-41-7, is also known as 6-Fluoroindole-3-carboxaldehyde. This chemical's molecular formula is C9H6FNO and formula weight is 163.15. What's more, its IUPAC name is 6-fluoro-1H-indole-3-carbaldehyde. It should be sealed and stored in a cool and dry place. Its storage temperature is -20°C.
Physical properties of 1H-Indole-3-carboxaldehyde,6-fluoro- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.695; (8)Molar Refractivity: 45.27 cm3; (9)Molar Volume: 117.7 cm3; (10)Surface Tension: 56.5 dyne/cm; (11)Density: 1.385 g/cm3; (12)Flash Point: 160.9 °C; (13)Enthalpy of Vaporization: 58.62 kJ/mol; (14)Boiling Point: 342.4 °C at 760 mmHg; (15)Vapour Pressure: 7.53E-05 mmHg at 25°C.
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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1F)NC=C2C=O
(2)InChI: InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
(3)InChIKey: CWCYUOSLRVAKQZ-UHFFFAOYSA-N