2-Fluoro-4-(trifluoromethyl)phenylacetonitrile supplier

Name
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETONITRILE
EINECS
CAS No. 239087-11-7
Article Data2
CAS DataBase
Density 1.325 g/cm³
Solubility
Melting Point
Formula C₉H₅F₄N
Boiling Point 219.001 °C at 760 mmHg
Molecular Weight 203.139
Flash Point 105.915 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms ZINC02600096;
PSA 23.79000
LogP 2.91058

2-Fluoro-4-(trifluoromethyl)phenylacetonitrile Specification

The Benzeneacetonitrile,2-fluoro-4-(trifluoromethyl)-, with the CAS registry number 239087-11-7, is also known as ZINC02600096. It belongs to the product categories of Benzene Series; Nitrile. This chemical's molecular formula is C₉H₅F₄N and molecular weight is 203.14. Its IUPAC name is called 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile. When you are using this chemical, please be cautious about it. This chemical that at low levels may cause damage to health.

Physical properties of Benzeneacetonitrile,2-fluoro-4-(trifluoromethyl)-: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.91; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.75; (5)ACD/BCF (pH 7.4): 16.75; (6)ACD/KOC (pH 5.5): 261.68; (7)ACD/KOC (pH 7.4): 261.68; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 40.68 cm³; (12)Molar Volume: 153.3 cm³; (13)Surface Tension: 29.2 dyne/cm; (14)Density: 1.324 g/cm³; (15)Flash Point: 105.9 °C; (16)Enthalpy of Vaporization: 45.54 kJ/mol; (17)Boiling Point: 219 °C at 760 mmHg; (18)Vapour Pressure: 0.122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)CC#N
(2)InChI: InChI=1S/C9H5F4N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3H2
(3)InChIKey: ZLGSJWMEAQTLFY-UHFFFAOYSA-N

Product Name

2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETONITRILE

2-Fluoro-4-(trifluoromethyl)phenylacetonitrile Specification

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