Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2'-Trifluoromethylphenyl acetylene |
EINECS | N/A |
CAS No. | 704-41-6 | Density | 1.21 g/cm3 |
PSA | 0.00000 | LogP | 2.68670 |
Solubility | Sparingly soluble in water. | Melting Point |
N/A |
Formula | C9H5F3 | Boiling Point | 168.1 °C at 760 mmHg |
Molecular Weight | 170.134 | Flash Point | 47.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Ethynyl-Alpha,Alpha,Alpha- Trifluorotoluene;2'-Trifluoromethylphenylacetylene; |
Article Data | 8 |
The 2'-Trifluoromethylphenyl acetylene, with CAS registry number 704-41-6, has the systematic name of 1-ethynyl-2-(trifluoromethyl)benzene. Besides this, it is also called Benzene, 1-ethynyl-2-(trifluoromethyl)-. And the chemical formula of this chemical is C9H5F3.
Physical properties of 2'-Trifluoromethylphenyl acetylene: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.78; (6)ACD/BCF (pH 7.4): 106.78; (7)ACD/KOC (pH 5.5): 985.4; (8)ACD/KOC (pH 7.4): 985.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 38.8 cm3; (15)Molar Volume: 139.9 cm3; (16)Polarizability: 15.38×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 47.5 °C; (20)Enthalpy of Vaporization: 38.79 kJ/mol; (21)Boiling Point: 168.1 °C at 760 mmHg; (22)Vapour Pressure: 2.18 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2'-Trifluoromethylphenyl acetylene is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C#C
(2)InChI: InChI=1/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H
(3)InChIKey: OOZKONVIIMFOKW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H
(5)Std. InChIKey: OOZKONVIIMFOKW-UHFFFAOYSA-N