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CAS No.: | 5292-47-7 |
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Name: | DIMETHYL 2-FLUOROTEREPHTHALATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H9FO4 |
Molecular Weight: | 212.177 |
Synonyms: | 1,4-Benzenedicarboxylicacid, 2-fluoro-, dimethyl ester (9CI);Terephthalic acid, fluoro-, dimethyl ester(7CI,8CI);Dimethyl 2-fluoroterephthalate; |
EINECS: | 226-135-7 |
Density: | 1.252g/cm3 |
Melting Point: | 83-85 °C(lit.) |
Boiling Point: | 299.4 °C at 760 mmHg |
Flash Point: | 130.6 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 52.60000 |
LogP: | 1.39890 |
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The 1,4-Benzenedicarboxylicacid, 2-fluoro-, 1,4-dimethyl ester, with CAS registry number 5292-47-7, belongs to the following product categories: (1)Benzoic acid; (2)Miscellaneous; (3)C10 to C11; (4)Carbonyl Compounds; (5)Esters. It has the systematic name of dimethyl 2-fluorobenzene-1,4-dicarboxylate. This chemical is a kind of white to light yellow crystal powder. What's more, its EINECS is 226-135-7.
Physical properties of 1,4-Benzenedicarboxylicacid, 2-fluoro-, 1,4-dimethyl ester: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.12; (6)ACD/BCF (pH 7.4): 41.12; (7)ACD/KOC (pH 5.5): 497.65; (8)ACD/KOC (pH 7.4): 497.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 49.79 cm3; (15)Molar Volume: 169.4 cm3; (16)Polarizability: 19.73×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 130.6 °C; (20)Enthalpy of Vaporization: 53.94 kJ/mol; (21)Boiling Point: 299.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1F)C(=O)OC
(2)InChI: InChI=1/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
(3)InChIKey: NCRFSIQSCLJDIC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
(5)Std. InChIKey: NCRFSIQSCLJDIC-UHFFFAOYSA-N