2-Methyl-5-nitrobenzotrifluoride CAS NO.89976-12-5

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 The CAS register number of 2-Methyl-5-nitrobenzotrifluoride is 89976-12-5. It also can be called as Benzene,1-methyl-4-nitro-2-(trifluoromethyl)- and the IUPAC name about this chemical is 1-methyl-4-nitro-2-(trifluoromethyl)benzene. The molecular formula about this chemical is C₈H₆F₃NO₂ and the molecular weight is 205.13.

Physical properties about 2-Methyl-5-nitrobenzotrifluoride are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.043; (3)ACD/LogD (pH 7.4): 3.043; (4)ACD/BCF (pH 5.5): 121.028; (5)ACD/BCF (pH 7.4): 121.028; (6)ACD/KOC (pH 5.5): 1077.802; (7)ACD/KOC (pH 7.4): 1077.802; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Ų; (11)Index of Refraction: 1.476; (12)Molar Refractivity: 42.603 cm³; (13)Molar Volume: 151.061 cm³; (14)Polarizability: 16.889x10^-24cm^3; (15)Surface Tension: 31.407 dyne/cm; (16)Enthalpy of Vaporization: 43.828 kJ/mol; (17)Boiling Point: 220.459 °C at 760 mmHg; (18)Vapour Pressure: 0.167 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, you also need do not breathe vapour. 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: Cc1ccc(cc1C(F)(F)F)N(=O)=O
(2)InChI: InChI=1/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3
(3)InChIKey: SVQCVQCIZWSPPX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3
(5)Std. InChIKey: SVQCVQCIZWSPPX-UHFFFAOYSA-N