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3-Fluoro-5-(trifluoromethyl)phenylacetonitrile

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Name

3-Fluoro-5-(trifluoromethyl)phenylacetonitrile

EINECS N/A
CAS No. 239087-12-8 Density 1.325 g/cm3
PSA 23.79000 LogP 2.91058
Solubility N/A Melting Point N/A
Formula C9H5F4N Boiling Point 205.8 °C at 760 mmHg
Molecular Weight 203.139 Flash Point 89.6 °C
Transport Information UN 3276 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 239087-12-8 (Benzeneacetonitrile,3-fluoro-5-(trifluoromethyl)-) Hazard Symbols ToxicT
Synonyms

(3-Fluoro-5-trifluoromethylphenyl)acetonitrile;

 

3-Fluoro-5-(trifluoromethyl)phenylacetonitrile Specification

The Benzeneacetonitrile,3-fluoro-5-(trifluoromethyl)-, with the CAS registry number 239087-12-8, is also known as ZINC02600098. It belongs to the product category of Nitrile. This chemical's molecular formula is C9H5F4N and molecular weight is 203.136313. Its IUPAC name is called 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile. 

Physical properties of Benzeneacetonitrile,3-fluoro-5-(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: 89.6 °C; (16)Enthalpy of Vaporization: 44.21 kJ/mol; (17)Boiling Point: 205.8 °C at 760 mmHg; (18)Vapour Pressure: 0.245 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CC#N
(2)InChI: InChI=1S/C9H5F4N/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5H,1H2
(3)InChIKey: HKCQBEWZJZKBQM-UHFFFAOYSA-N

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