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| CAS No.: | 110003-22-0 |
|---|---|
| Name: | 4,5,5-TRIFLUOROPENT-4-ENOIC ACID |
| Molecular Structure: | |
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| Formula: | C5H5F3O2 |
| Molecular Weight: | 154.089 |
| Synonyms: | 4,5,5-TRIFLUORO-4-PENTENOIC ACID;4,5,5-TRIFLUOROPENT-4-ENOIC ACID;4,5,5-Trifluoropent-4-enoic acid 97%;4,5,5-Trifluoropent-4-enoicacid97%;4-pentenoic acid, 4,5,5-trifluoro- |
| Density: | 1.336 g/cm3 |
| Boiling Point: | 205.1 °C at 760 mmHg |
| Flash Point: | 77.9 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3265 |
| PSA: | 37.30000 |
| LogP: | 1.92880 |
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Specification
The 4-Pentenoic acid,4,5,5-trifluoro-, with the CAS registry number 110003-22-0, has the systematic name 4,5,5-trifluoropent-4-enoic acid. Its molecular formula is C5H5F3O2 and its molecular weight is 154.09. However, this chemical is which should be kept cool and dry.
Other characteristics of the 4-Pentenoic acid,4,5,5-trifluoro- can be summarised as followings: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1.89; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.385; (14)Molar Refractivity: 27.01 cm3; (15)Molar Volume: 115.2 cm3; (16)Polarizability: 10.7×10-24cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 77.9 °C; (20)Enthalpy of Vaporization: 48.64 kJ/mol; (21)Boiling Point: 205.1 °C at 760 mmHg; (22)Vapour Pressure: 0.104 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: F/C(F)=C(\F)CCC(=O)O
2.InChI: InChI=1/C5H5F3O2/c6-3(5(7)8)1-2-4(9)10/h1-2H2,(H,9,10)
3.InChIKey: YWHZHTHRRXAUFQ-UHFFFAOYAA