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Methyl pentafluoropropionate

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Name

Methyl pentafluoropropionate

EINECS 206-828-0
CAS No. 378-75-6 Density 1.42 g/cm3
PSA 26.30000 LogP 1.35700
Solubility N/A Melting Point N/A
Formula C4H3F5O2 Boiling Point 62.5 °C at 760 mmHg
Molecular Weight 178.059 Flash Point 5.6 °C
Transport Information UN 3272 3/PG 2 Appearance clear colorless liquid
Safety 16-26-37/39 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 378-75-6 (Methyl pentafluoropropionate) Hazard Symbols FlammableF, IrritantXi
Synonyms

Methylester kyseliny pentafluorpropionove;Perfluoropropionic acid, methyl ester;

Article Data 18

Methyl pentafluoropropionate Specification

The Propanoic acid,2,2,3,3,3-pentafluoro-, methyl ester, with the CAS registry number 378-75-6, is also known as Methyl pentafluoropropionate. It belongs to the product categories of C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 206-828-0. This chemical's molecular formula is C4H3F5O2 and molecular weight is 178.06. Its IUPAC name is called methyl 2,2,3,3,3-pentafluoropropanoate.

Physical properties of Propanoic acid,2,2,3,3,3-pentafluoro-, methyl ester: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.61; (5)ACD/BCF (pH 7.4): 9.61; (6)ACD/KOC (pH 5.5): 175.84; (7)ACD/KOC (pH 7.4): 175.84; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.295; (11)Molar Refractivity: 23.1 cm3; (12)Molar Volume: 125.3 cm3; (13)Surface Tension: 16.7 dyne/cm; (14)Density: 1.42 g/cm3; (15)Flash Point: 5.6 °C; (16)Enthalpy of Vaporization: 30.48 kJ/mol; (17)Boiling Point: 62.5 °C at 760 mmHg; (18)Vapour Pressure: 178 mmHg at 25°C.

Uses of Propanoic acid,2,2,3,3,3-pentafluoro-, methyl ester: it can be used to produce 1-ethyl-2-pentafluoropropionylhydrazine with ethylhydrazine at ambient temperature. This reaction will need solvent methanol with reaction time of 4 hours. The yield is about 81%.

Propanoic acid,2,2,3,3,3-pentafluoro-, methyl ester can be used to produce 1-ethyl-2-pentafluoropropionylhydrazine with ethylhydrazine

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C(C(F)(F)F)(F)F
(2)InChI: InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
(3)InChIKey: JMKJCPUVEMZGEC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 23gm/m3 (23000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974.
mouse LD50 oral 7gm/kg (7000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974.
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974.

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