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Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester

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Name

Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester

EINECS N/A
CAS No. 382-93-4 Density 1.331 g/cm3
PSA 26.30000 LogP 1.05980
Solubility N/A Melting Point N/A
Formula C4H4F4O2 Boiling Point 77.3 °C at 760 mmHg
Molecular Weight 160.068 Flash Point 1.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 382-93-4 (METHYL 2,3,3,3-TETRAFLUOROPROPIONATE) Hazard Symbols FlammableF
Synonyms

Methyl2,3,3,3-tetrafluoropropanoate;Methyl 2,3,3,3-tetrafluoropropionate;2,3,3,3-Tetrafluoropropionic acid methyl ester;Propionicacid, 2,3,3,3-tetrafluoro-, methyl ester (6CI,8CI);

Article Data 17

Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester Specification

The CAS registry number of Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester is 382-93-4. This chemical is also named as Methyl 2,3,3,3-tetrafluoropropionate 97%. In addition, its molecular formula is C4H4F4O2 and molecular weight is 160.07. Its systematic name and IUPAC name are the same which is called methyl 2,3,3,3-tetrafluoropropanoate.

Physical properties about Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 2.52; (7)ACD/KOC (pH 5.5): 67.48; (8)ACD/KOC (pH 7.4): 67.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.306; (13)Molar Refractivity: 22.93 cm3; (14)Molar Volume: 120.2 cm3; (15)Surface Tension: 17.6 dyne/cm; (16)Density: 1.331 g/cm3; (17)Flash Point: 1.8 °C; (18)Enthalpy of Vaporization: 31.83 kJ/mol; (19)Boiling Point: 77.3 °C at 760 mmHg; (20)Vapour Pressure: 97.4 mmHg at 25°C.

Preparation: this chemical can be prepared by (1,1,2,3,3,3-hexafluoro-propyl)-methyl ether at ambient temperature. This reaction will need reagent conc. sulfuric acid. The reaction time is 1 hour. The yield is about 74 %.

Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester can be prepared by (1,1,2,3,3,3-hexafluoro-propyl)-methyl ether

Uses of Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester: it can be used to produce 2-fluoro-3,3,3-trimethoxy-propionic acid methyl ester at temperature of 20 °C. This reaction will need reagent sodium with reaction time of 2 hours. The yield is about 84 %.

Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester can be used to produce 2-fluoro-3,3,3-trimethoxy-propionic acid methyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air or only need brief contact with an ignition source. It has a very low flash point or evolve highly flammable gases in contact with water. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)C(=O)OC
(2)InChI: InChI=1/C4H4F4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3
(3)InChIKey: YPGCUXBNTDXTKF-UHFFFAOYAO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2750mg/kg (2750mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.
 
mouse LD50 oral 10gm/kg (10000mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.
 

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