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| CAS No.: | 320-97-8 |
|---|---|
| Name: | 4-Fluorophthalic acid |
| Molecular Structure: | |
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| Formula: | C8H5FO4 |
| Molecular Weight: | 184.124 |
| Synonyms: | Phthalicacid, 4-fluoro- (6CI,7CI,8CI);NSC 20683;4-Fluorophthalic acid; |
| EINECS: | 216-433-5 |
| Density: | 1.551 g/cm3 |
| Melting Point: | 154-158℃ |
| Boiling Point: | 377.2 °C at 760 mmHg |
| Flash Point: | 181.9 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37 |
| PSA: | 74.60000 |
| LogP: | 1.22210 |
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Specification
The 4-Fluorophthalic acid, with the CAS registry number 320-97-8, is also known as 1,2-Benzenedicarboxylic acid, 4-fluoro-. This chemical's molecular formula is C8H5FO4 and molecular weight is 184.121303. Its IUPAC name is called 4-fluorophthalic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 4-Fluorophthalic acid: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): -1.85; (3)ACD/LogD (pH 7.4): -2.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 40.1 cm3; (13)Molar Volume: 118.7 cm3; (14)Surface Tension: 66.2 dyne/cm; (15)Density: 1.551 g/cm3; (16)Flash Point: 181.9 °C; (17)Enthalpy of Vaporization: 65.93 kJ/mol; (18)Boiling Point: 377.2 °C at 760 mmHg; (19)Vapour Pressure: 2.32E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: OMCXTFVBNCFZMY-UHFFFAOYSA-N