Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]- supplier

Name
Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]-
EINECS
CAS No. 1000527-45-6
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₁₀H₆F₃NO
Boiling Point 240.6 °C at 760 mmHg
Molecular Weight 213.1559
Flash Point 99.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[4-(1,2,2-Trifluorovinyloxy)phenyl]acetonitrile;
PSA
LogP

Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]- Specification

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

Product Name

Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]-

Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]- Specification

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