2-Trifluoromethyl-4-nitrobenzonitrile supplier

Name
4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE
EINECS -0
CAS No. 320-47-8
Article Data6
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 49-53 °C(lit.)
Formula C₈H₃F₃N₂O₂
Boiling Point 297.7 °C at 760 mmHg
Molecular Weight 216.119
Flash Point 133.9 °C
Transport Information UN 3276
Appearance white to light yellow crystal powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi, T
Synonyms o-Tolunitrile,a,a,a-trifluoro-4-nitro- (7CI,8CI);2-Cyano-5-nitrobenzotrifluoride;4-Nitro-2-(trifluoromethyl)benzonitrile;a,a,a-Trifluoro-4-nitro-o-tolunitrile;
PSA 69.61000
LogP 3.00848

2-Trifluoromethyl-4-nitrobenzonitrile Specification

The Benzonitrile,4-nitro-2-(trifluoromethyl)- with the CAS number 320-47-8 is also called 2-Cyano-5-nitrobenzotrifluoride. The systematic name is 4-nitro-2-(trifluoromethyl)benzonitrile. Its molecular formula is C₈H₃F₃N₂O₂. This chemical belongs to the following product categories: (1)Aromatic Nitriles; (2)Nitrile; (3)C8 to C9; (4)Cyanides/Nitriles; (5)Nitrogen Compounds. It is white to light yellow crystal powder.

The properties of the Benzonitrile,4-nitro-2-(trifluoromethyl)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.83; (6)ACD/BCF (pH 7.4): 30.83; (7)ACD/KOC (pH 5.5): 404.92; (8)ACD/KOC (pH 7.4): 404.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 42.34 cm³; (15)Molar Volume: 144.2 cm³; (16)Polarizability: 16.78×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 53.76 kJ/mol; (19)Vapour Pressure: 0.00132 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should 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)c1cc(ccc1C#N)[N+]([O-])=O
(2)InChI: InChI=1/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H
(3)InChIKey: AGKQJEFSEQHGTA-UHFFFAOYAN

Product Name

4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE

2-Trifluoromethyl-4-nitrobenzonitrile Specification

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