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CAS No.: | 378-75-6 |
---|---|
Name: | Methyl pentafluoropropionate |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C4H3F5O2 |
Molecular Weight: | 178.059 |
Synonyms: | Methylester kyseliny pentafluorpropionove;Perfluoropropionic acid, methyl ester; |
EINECS: | 206-828-0 |
Density: | 1.42 g/cm3 |
Boiling Point: | 62.5 °C at 760 mmHg |
Flash Point: | 5.6 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | F, Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 16-26-37/39 |
Transport Information: | UN 3272 3/PG 2 |
PSA: | 26.30000 |
LogP: | 1.35700 |
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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%.
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. |