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| CAS No.: | 755-73-7 |
|---|---|
| Name: | methyl 2,2,3,3-tetrafluoro-3-methoxypropionate |
| Molecular Structure: | |
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| Formula: | C5H6F4O3 |
| Molecular Weight: | 190.094 |
| Synonyms: | Propionicacid, 2,2,3,3-tetrafluoro-3-methoxy-, methyl ester (7CI,8CI);Methyl2,2,3,3-tetrafluoro-3-methoxypropionate;Methyl 3-methoxyperfluoropropionate;Methyl 3-methoxytetrafluoropropionate;methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate; |
| EINECS: | 212-048-1 |
| Density: | 1.331 g/cm3 |
| Boiling Point: | 157.8 °C at 760 mmHg |
| Flash Point: | 48.5 °C |
| PSA: | 35.53000 |
| LogP: | 1.03390 |
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Specification
The Propanoic acid,2,2,3,3-tetrafluoro-3-methoxy-, methyl ester, with the CAS registry number 755-73-7, is also known as Methyl 3-methoxyperfluoropropanoate. Its EINECS number is 212-048-1. This chemical's molecular formula is C5H6F4O3 and molecular weight is 175.06 What's more, its systematic name is methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate.
Physical properties of Propanoic acid,2,2,3,3-tetrafluoro-3-methoxy-, methyl ester are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.71; (6)ACD/BCF (pH 7.4): 17.71; (7)ACD/KOC (pH 5.5): 272.38; (8)ACD/KOC (pH 7.4): 272.38; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.332; (14)Molar Refractivity: 29.31 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 11.62×10-24 cm3; (17)Surface Tension: 20.4 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 48.5 °C; (20)Enthalpy of Vaporization: 39.45 kJ/mol; (21)Boiling Point: 157.8 °C at 760 mmHg; (22)Vapour Pressure: 2.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(C(=O)OC)C(F)(F)OC
(2)InChI: InChI=1/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3
(3)InChIKey: NDNOUXQCMAHOSA-UHFFFAOYAA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LCLo | inhalation | 2100ppm/4H (2100ppm) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | National Technical Information Service. Vol. OTS0539757, |