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| CAS No.: | 6284-80-6 |
|---|---|
| Name: | Fluorene-9-acetic acid |
| Molecular Structure: | |
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| Formula: | C15H12O2 |
| Molecular Weight: | 224.259 |
| Synonyms: | Fluorene-9-aceticacid (6CI,7CI,8CI);(9H-Fluoren-9-yl)acetic acid;9-Fluorenylacetic acid;NSC5255; |
| Density: | 1.242 g/cm3 |
| Melting Point: | 133-135 °C(lit.) |
| Boiling Point: | 436.9 °C at 760 mmHg |
| Flash Point: | 333.6 °C |
| Solubility: | Soluble in water. |
| Appearance: | light yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 37.30000 |
| LogP: | 3.27360 |
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Specification
The Fluorene-9-acetic acid, with CAS registry number 6284-80-6, belongs to the following product categories: (1)Fluorene Derivatives; (2)Organic acids; (3)Fluorenes; (4)Fluorenes & Fluorenones. It has the systematic name of 9H-fluoren-9-ylacetic acid. This chemical is a kind of light yellow crystalline powder. And the chemical formula of this chemical is C15H12O2.
Physical properties of Fluorene-9-acetic acid: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 5.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 64.68 cm3; (15)Molar Volume: 180.5 cm3; (16)Polarizability: 25.64×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 333.6 °C; (20)Enthalpy of Vaporization: 73.08 kJ/mol; (21)Boiling Point: 436.9 °C at 760 mmHg; (22)Vapour Pressure: 2.1E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by fluoren-9-yl-acetic acid ethyl ester. This reaction will need reagent 5M aq. NaOH and solvent ethanol. The reaction time is 1 hour(s). The yield is about 90%.
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Uses of Fluorene-9-acetic acid: it can be used to produce 2-fluoren-9-yl-ethanol. This reaction will need reagent diborane and solvent tetrahydrofuran.
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When you are using this chemical, please be cautious about it as the following:
The Fluorene-9-acetic acid irritates to eyes, respiratory system and skin. You should avoid contact with skin and eyes. 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: O=C(O)CC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
(3)InChIKey: WFSMJMTYIMFHPV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
(5)Std. InChIKey: WFSMJMTYIMFHPV-UHFFFAOYSA-N