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| CAS No.: | 443-73-2 |
|---|---|
| Name: | 5-FLUOROINDOLE-3-ACETIC ACID |
| Molecular Structure: | |
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| Formula: | C10H8FNO2 |
| Molecular Weight: | 193.177 |
| Synonyms: | Indole-3-aceticacid, 5-fluoro- (6CI,7CI,8CI);(5-Fluoroindol-3-yl)acetic acid;2-(5-Fluoro-1H-indol-3-yl)acetic acid;2-(5-Fluoro-3-indolyl)acetic acid;5-Fluoro-IAA;5-Fluoroindole-3-acetic acid;5-Fluoroindoleacetic acid;NSC88616; |
| EINECS: | 207-138-2 |
| Density: | 1.446 g/cm3 |
| Melting Point: | 139-143°C |
| Boiling Point: | 417.9 °C at 760 mmHg |
| Flash Point: | 206.5 °C |
| Appearance: | Off-white to pink powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 53.09000 |
| LogP: | 1.93410 |
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Specification
The 5-Fluoroindole-3-acetic acid is an organic compound with the formula C10H8FNO2. The IUPAC name of this chemical is 2-(5-fluoro-1H-indol-3-yl)acetic acid. With the CAS registry number 443-73-2, it is also named as 5-fluoro-1H-indole-3-acetic acid. The product's categories are Indoles and Derivatives; Indole; Activity; Enzyme Substrates; Fluorogenic. Besides, it is an off-white to pink powder.
Physical properties about 5-Fluoroindole-3-acetic acid are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 0.36; (3)ACD/LogD (pH 7.4): -1.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.57; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.23 Å2; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 49.63 cm3; (14)Molar Volume: 133.5 cm3; (15)Polarizability: 19.67×10-24cm3; (16)Surface Tension: 63 dyne/cm; (17)Density: 1.446 g/cm3; (18)Flash Point: 206.5 °C; (19)Enthalpy of Vaporization: 70.78 kJ/mol; (20)Boiling Point: 417.9 °C at 760 mmHg; (21)Vapour Pressure: 9.91E-08 mmHg at 25°C.
Uses of 5-Fluoroindole-3-acetic acid: it can be used to produce 2-(5-fluoro-1H-indol-3-yl)-N-pyridin-4-yl-acetamide by heating. It will need reagent Et3N, 2-chloro-1-methylpyrimidinium iodide and solvent CH2Cl2 with reaction time of 2 hours. The yield is about 50%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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: Fc1cc2c(cc1)ncc2CC(=O)O
(2)InChI: InChI=1/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
(3)InChIKey: GWLLOJBOPVNWNF-UHFFFAOYAM ; (4)Std. InChI: InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
(5)Std. InChIKey: GWLLOJBOPVNWNF-UHFFFAOYSA-N