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CAS No.: | 175278-04-3 |
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Name: | N-METHYL-2-(TRIFLUOROMETHOXY)ANILINE |
Molecular Structure: | |
Formula: | C8H8F3NO |
Molecular Weight: | 191.153 |
Synonyms: | 2-Trifluoromethoxy-N-methylaniline;N-Methyl-2-trifluoromethoxyaniline;N-methyl-2-(trifluoromethoxy)aniline;Benzenamine, N-methyl-2-(trifluoromethoxy)-;N1-methyl-2-(trifluoromethoxy)aniline;N-Methyl-2-(trifluoromethoxy)aniline; |
Density: | 1.28 g/cm3 |
Boiling Point: | 171.3 °C at 760 mmHg |
Flash Point: | 57.4 °C |
Hazard Symbols: | T |
Risk Codes: | 20/21/22 |
Safety: | 23-36/37/39 |
PSA: | 21.26000 |
LogP: | 2.69990 |
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The Benzenamine,N-methyl-2-(trifluoromethoxy)-, with the CAS registry number 175278-04-3, has the systematic name of N-methyl-2-(trifluoromethoxy)aniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H8F3NO.
The characteristics of Benzenamine,N-methyl-2-(trifluoromethoxy)- are as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 85.41; (6)ACD/BCF (pH 7.4): 85.68; (7)ACD/KOC (pH 5.5): 839.09; (8)ACD/KOC (pH 7.4): 841.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 42.99 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 17.04×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 57.4 °C; (20)Enthalpy of Vaporization: 40.76 kJ/mol; (21)Boiling Point: 171.3 °C at 760 mmHg; (22)Vapour Pressure: 1.41 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and wear suitable protective clothing, gloves and eye/face protection.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1NC
(2)InChI: InChI=1/C8H8F3NO/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3
(3)InChIKey: VMEUCSINSIZDPO-UHFFFAOYAE