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3-(Trifluoromethoxy)phenylacetonitrile

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Name

3-(Trifluoromethoxy)phenylacetonitrile

EINECS N/A
CAS No. 108307-56-8 Density 1.289 g/cm3
PSA 33.02000 LogP 2.65128
Solubility N/A Melting Point N/A
Formula C9H6F3NO Boiling Point 224.2 °C at 760 mmHg
Molecular Weight 201.148 Flash Point 89.4 °C
Transport Information 3276 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 108307-56-8 (3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE) Hazard Symbols ToxicT
Synonyms

(3-Trifluoromethoxyphenyl)acetonitrile;3-Trifluoromethoxybenzyl cyanide;

 

3-(Trifluoromethoxy)phenylacetonitrile Specification

The CAS register number of 3-(Trifluoromethoxy)phenylacetonitrile is 108307-56-8. It also can be called as Benzeneacetonitrile,3-(trifluoromethoxy)- and the IUPAC name about this chemical is 2-[3-(trifluoromethoxy)phenyl]acetonitrile. The molecular formula about this chemical is C9H6F3NO and molecular weight is 201.14.

Physical properties about 3-(Trifluoromethoxy)phenylacetonitrile are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 39.25; (5)ACD/BCF (pH 7.4): 39.25; (6)ACD/KOC (pH 5.5): 481.34; (7)ACD/KOC (pH 7.4): 481.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 42.85 cm3; (13)Molar Volume: 156 cm3; (14)Polarizability: 16.98x10-24cm3; (15)Surface Tension: 32.4 dyne/cm; (16)Enthalpy of Vaporization: 46.07 kJ/mol; (17)Boiling Point: 224.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0926 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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)Oc1cc(ccc1)CC#N
(2)InChI: InChI=1/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
(3)InChIKey: WZLPHJZVNJXHPV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
(5)Std. InChIKey: WZLPHJZVNJXHPV-UHFFFAOYSA-N

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