4-(Trifluoromethoxy)phenylacetonitrile supplier

Name
4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE
EINECS
CAS No. 49561-96-8
Article Data7
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point 30-33 °C(lit.)
Formula C₉H₆F₃NO
Boiling Point 224.6 °C at 760 mmHg
Molecular Weight 201.148
Flash Point 89.6 °C
Transport Information UN 3276
Appearance clear yellow liquid
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi, Xn, T
Synonyms 1-[4-(Trifluoromethoxy)phenyl]acetonitrile;4-(Trifluoromethoxy)benzeneacetonitrile;4-Trifluoromethoxybenzyl cyanide;4-Trifluoromethoxyphenylacetonitrile;
PSA 33.02000
LogP 2.65128

4-(Trifluoromethoxy)phenylacetonitrile Specification

This chemical is called 4-(Trifluoromethoxy)phenylacetonitrile, and it can also be named as Benzeneacetonitrile,4-(trifluoromethoxy)-. With the molecular formula of C₉H₆F₃NO, its molecular weight is 201.15. The CAS registry number of this chemical is 49561-96-8. Additionally, its product categories are Aromatic Nitriles; Nitrile; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds.

Other characteristics of the 4-(Trifluoromethoxy)phenylacetonitrile can be summarised as followings: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.25; (6)ACD/BCF (pH 7.4): 39.25; (7)ACD/KOC (pH 5.5): 481.34; (8)ACD/KOC (pH 7.4): 481.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 42.85 cm³; (15)Molar Volume: 156 cm³; (16)Polarizability: 16.98×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 89.6 °C; (20)Enthalpy of Vaporization: 46.11 kJ/mol; (21)Boiling Point: 224.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0905 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting 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)Oc1ccc(cc1)CC#N
2.InChI: InChI=1/C9H6F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
3.InChIKey: LYFCAROXYJTUQF-UHFFFAOYAQ

Product Name

4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

4-(Trifluoromethoxy)phenylacetonitrile Specification

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