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| CAS No.: | 6276-03-5 |
|---|---|
| Name: | 1-FLUORENECARBOXYLIC ACID |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C14H10O2 |
| Molecular Weight: | 210.232 |
| Synonyms: | Fluorene-1-carboxylicacid (6CI, 7CI, 8CI);NSC 36445; |
| EINECS: | 228-472-5 |
| Density: | 1.306 g/cm3 |
| Melting Point: | 246-248 °C |
| Boiling Point: | 413.3 °C at 760 mmHg |
| Flash Point: | 185.4 °C |
| Appearance: | Light brown powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36/37/39-27-26 |
| PSA: | 37.30000 |
| LogP: | 2.95600 |
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Specification
The 9H-Fluorene-1-carboxylicacid, with the CAS registry number 6276-03-5, is also known as Fluorene-1-carboxylic acid. It belongs to the product categories of Fluorenes. Its EINECS registry number is 228-472-5. This chemical's molecular formula is C14H10O2 and molecular weight is 210.23. What's more, its IUPAC name is 9H-Fluorene-1-carboxylic acid.
Physical properties about 9H-Fluorene-1-carboxylicacid are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 19.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 115.55; (8)ACD/KOC (pH 7.4): 3.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 60.72 cm3; (15)Molar Volume: 160.8 cm3; (16)Polarizability: 24.07×10-24 cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 70.23 kJ/mol; (21)Boiling Point: 413.3 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-07 mmHg at 25 °C.
Uses of 9H-Fluorene-1-carboxylicacid: it is used to produce other chemicals. For example, it is used to produce Fluorene-1-carbonyl chloride by heating. The reaction needs reagent Thionyl chloride. The reaction time is 3 hours.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes, because it is very toxic in contact with skin.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cccc2c1Cc3c2cccc3
(2) InChI: InChI=1/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)
(3) InChIKey: HTPXFGUCAUTOEL-UHFFFAOYAC