Products Categories
CAS No.: | 719-60-8 |
---|---|
Name: | 2,3,4,5,6-PENTAFLUOROCINNAMIC ACID |
Molecular Structure: | |
Formula: | C9H3F5O2 |
Molecular Weight: | 238.114 |
Synonyms: | 3-(Pentafluorophenyl)-2-propenoic acid;2-Propenoicacid, 3-(pentafluorophenyl)- (9CI);Cinnamic acid, 2,3,4,5,6-pentafluoro-(6CI,7CI,8CI);2,3,4,5,6-Pentafluorocinnamic acid;Pentafluorocinnamic acid; |
Density: | 1.629 g/cm3 |
Melting Point: | 154-156 °C(lit.) |
Boiling Point: | 251.5 °C at 760 mmHg |
Flash Point: | 105.9 °C |
Appearance: | White to yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 37.30000 |
LogP: | 2.47990 |
What can I do for you?
Get Best Price
The 2-Propenoic acid,3-(2,3,4,5,6-pentafluorophenyl)-, with the CAS registry number 719-60-8, is also known as 2,3,4,5,6-Pentafluorocinnamic acid. It belongs to the product categories of Aromatic Cinnamic Acids; Esters and Derivatives. This chemical's molecular formula is C9H3F5O2 and molecular weight is 238.11. What's more, its systematic name is 3-(Pentafluorophenyl)prop-2-enoic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides.
Physical properties of 2-Propenoic acid,3-(2,3,4,5,6-pentafluorophenyl)- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): -0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 43.67 cm3; (15)Molar Volume: 146 cm3; (16)Polarizability: 17.31×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.629 g/cm3; (19)Flash Point: 105.9 °C; (20)Enthalpy of Vaporization: 51.65 kJ/mol; (21)Boiling Point: 251.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0106 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)\C=C\C(=O)O
(2)InChI: InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1+
(3)InChIKey: IUUKDBLGVZISGW-OWOJBTEDSA-N