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CAS No.: | 73790-05-3 |
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Name: | ETHYL 3,4-DIFLUOROBENZOYLFORMATE |
Molecular Structure: | |
Formula: | C10H8F2O3 |
Molecular Weight: | 214.17 |
Synonyms: | Ethyl(3,4-difluorophenyl)glyoxylate;Ethyl (3,4-difluorophenyl)(oxo)acetate;Ethyl 3,4-difluorophenylglyoxylate; |
Density: | 1.291 g/cm3 |
Boiling Point: | 285.3 °C at 760 mmHg |
Flash Point: | 122.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 43.37000 |
LogP: | 1.71060 |
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The Benzeneacetic acid,3,4-difluoro-α-oxo-,ethyl ester, with the CAS registry number 73790-05-3, is also known as Ethyl 3,4-difluorobenzoylformate. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C10H8F2O3 and molecular weight is 214.17. What's more, its systematic name is ethyl (3,4-difluorophenyl)(oxo)acetate.
Physical properties of Benzeneacetic acid,3,4-difluoro-α-oxo-,ethyl ester are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.9; (6)ACD/BCF (pH 7.4): 26.9; (7)ACD/KOC (pH 5.5): 367.33; (8)ACD/KOC (pH 7.4): 367.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 47.3 cm3; (15)Molar Volume: 165.8 cm3; (16)Polarizability: 18.75×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 122.5 °C; (20)Enthalpy of Vaporization: 52.44 kJ/mol; (21)Boiling Point: 285.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00282 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc1ccc(C(=O)C(=O)OCC)cc1F
(2)InChI: InChI=1/C10H8F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
(3)InChIKey: DYIBSNLBZKOXNA-UHFFFAOYAJ