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Name |
Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]- |
EINECS | N/A |
CAS No. | 1000527-45-6 | Density | 1.286 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H6F3NO | Boiling Point | 240.6 °C at 760 mmHg |
Molecular Weight | 213.1559 | Flash Point | 99.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[4-(1,2,2-Trifluorovinyloxy)phenyl]acetonitrile; |
The Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]- has CAS registry number 1000527-45-6. This chemical's molecular formula is C10H6F3NO and molecular weight is 213.1559. What's more, its systematic name is 2-[4-(1,2,2-Trifluorovinyloxy)phenyl]acetonitrile.
Physical properties about Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 33.02 Å2; (9)Index of Refraction: 1.482; (10)Molar Refractivity: 47.26 cm3; (11)Molar Volume: 165.7 cm3; (12)Polarizability: 18.73×10-24 cm3; (13)Surface Tension: 32.8 dyne/cm; (14)Density: 1.286 g/cm3; (15)Flash Point: 99.3 °C; (16)Enthalpy of Vaporization: 47.75 kJ/mol; (17)Boiling Point: 240.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0377 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1CC#N)OC(=C(F)F)F
(2) InChI: InChI=1/C10H6F3NO/c11-9(12)10(13)15-8-3-1-7(2-4-8)5-6-14/h1-4H,5H2
(3) InChIKey: QLBBALPYGFGRAD-UHFFFAOYAJ