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2-Propenoic acid,2-fluoro-, 2,2,3,3-tetrafluoropropyl ester

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Name

2-Propenoic acid,2-fluoro-, 2,2,3,3-tetrafluoropropyl ester

EINECS N/A
CAS No. 96250-37-2 Density 1.328 g/cm3
PSA 26.30000 LogP 1.91320
Solubility N/A Melting Point N/A
Formula C6H5F5O2 Boiling Point 145.1 °C at 760 mmHg
Molecular Weight 204.097 Flash Point 47.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 96250-37-2 (2,2,3,3-TETRAFLUOROPROPYL 2-FLUOROACRYLATE) Hazard Symbols IrritantXi
Synonyms

2,2,3,3-Tetrafluoropropyla-fluoroacrylate;2-Fluoro-2-propenoic acid 2,2,3,3-tetrafluoropropyl ester;

Article Data 2

2-Propenoic acid,2-fluoro-, 2,2,3,3-tetrafluoropropyl ester Specification

The 2-Propenoic acid,2-fluoro-, 2,2,3,3-tetrafluoropropyl ester is an organic compound with the formula C6H5F5O2. The IUPAC name of this chemical is 2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate. With the CAS registry number 96250-37-2, it is also named as Monomer FN-1. The product's category is Monomer.

The other characteristics of 2-Propenoic acid,2-fluoro-, 2,2,3,3-tetrafluoropropyl ester can be summarized as: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.44; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 132.08; (8)ACD/KOC (pH 7.4): 132.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.336; (13)Molar Refractivity: 31.93 cm3; (14)Molar Volume: 153.6 cm3; (15)Polarizability: 12.65×10-24 cm3; (16)Surface Tension: 19 dyne/cm; (17)Enthalpy of Vaporization: 38.22 kJ/mol; (18)Vapour Pressure: 4.93 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 204.02097; (21)MonoIsotopic Mass: 204.02097; (22)Topological Polar Surface Area: 26.3; (23)Heavy Atom Count: 13; (24)Complexity: 213.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(COC(=O)C(\F)=C)C(F)F
2. InChI:InChI=1/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
3. InChIKey:OOPSTBSKXWPLKJ-UHFFFAOYAG
4. Std. InChI:InChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
5. Std. InChIKey:OOPSTBSKXWPLKJ-UHFFFAOYSA-N

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 40mg/kg (40mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: HEMORRHAGE
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(2), Pg. 42, 1991.
rat LD50 oral 60mg/kg (60mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: HEMORRHAGE
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(2), Pg. 42, 1991.

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