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CAS No.: | 13057-08-4 |
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Name: | HEPTAFLUOROISOPROPYL ACRYLATE |
Molecular Structure: | |
Formula: | C6H3F7O2 |
Molecular Weight: | 240.077 |
Synonyms: | Heptafluoroisopropyl acrylate; |
EINECS: | 235-943-9 |
Density: | 1.46 g/cm3 |
Boiling Point: | 100 °C at 760 mmHg |
Flash Point: | 15 °C |
Hazard Symbols: | Xi,F |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.30000 |
LogP: | 2.50600 |
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The 2-Propenoic acid,1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester, with the CAS registry number of 13057-08-4, is also known as Heptafluoroisopropyl acrylate. It belongs to the product category of Monomer. Its EINECS registry number is 235-943-9. Its molecular formula is C6H3F7O2 and molecular weight is 240.08. What's more, its IUPAC name is 1,1,1,2,3,3,3-Heptafluoropropan-2-yl prop-2-enoate.
Physical properties about the 2-Propenoic acid,1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 1165.48; (8)ACD/KOC (pH 7.4): 1165.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.317; (14)Molar Refractivity: 32.38 cm3; (15)Molar Volume: 164.4 cm3; (16)Surface Tension: 17.5 dyne/cm; (17)Density: 1.46 g/cm3; (18)Flash Point: 15 °C; (19)Enthalpy of Vaporization: 33.93 kJ/mol; (20)Boiling Point: 100 °C at 760 mmHg; (21)Vapour Pressure: 37.4 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, 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)(OC(=O)\C=C)C(F)(F)F
(2) InChI: InChI=1/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2
(3) InChIKey: JTCVKNUSIGHJRG-UHFFFAOYAI