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CAS No.: | 3906-87-4 |
---|---|
Name: | 2-fluoroterephthalic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H5FO4 |
Molecular Weight: | 184.124 |
Synonyms: | 2-fluoroterephthalic acid |
EINECS: | 223-464-8 |
Density: | 1.551 g/cm3 |
Melting Point: | 330 °C |
Boiling Point: | 381.5 °C at 760 mmHg |
Flash Point: | 184.5 °C |
PSA: | 74.60000 |
LogP: | 1.22210 |
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The CAS registry number of 4-Benzenedicarboxylicacid, 2-fluoro- is 3906-87-41. Its EINECS registry number is 223-464-8. This chemical's molecular formula is C8H5FO4 and molecular weight is 184.1213. What's more, its IUPAC name is 2-Fluoroterephthalic acid.
Physical properties about 1,4-Benzenedicarboxylicacid, 2-fluoro- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.68; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 40.1 cm3; (15)Molar Volume: 118.7 cm3; (16)Polarizability: 15.89×10-24 cm3; (17)Surface Tension: 66.2 dyne/cm; (18)Density: 1.551 g/cm3; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 66.43 kJ/mol; (21)Boiling Point: 381.5 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(cc1F)C(=O)O
(2) InChI: InChI=1/C8H5FO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3) InChIKey: YUWKPDBHJFNMAD-UHFFFAOYAJ