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2-Methoxy-5-(trifluoromethyl)aniline

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Name

2-Methoxy-5-(trifluoromethyl)aniline

EINECS -0
CAS No. 349-65-5 Density 1.28 g/cm3
PSA 35.25000 LogP 2.87740
Solubility N/A Melting Point 58-60 °C(lit.)
Formula C8H8F3NO Boiling Point 230.1 °C at 760 mmHg
Molecular Weight 191.153 Flash Point 92.9 °C
Transport Information N/A Appearance Beige-greyish to brownish crystalline powder
Safety 26-36-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 349-65-5 (2-Methoxy-5-(trifluoromethyl)aniline) Hazard Symbols HarmfulXn; IrritantXi
Synonyms

o-Anisidine,5-(trifluoromethyl)- (6CI,7CI,8CI);(2-Methoxy-5-(trifluoromethyl)phenyl)amine;2-Amino-4-(trifluoromethyl)anisole;2-Methoxy-5-(trifluoromethyl)aniline;2-Methyloxy-5-trifluoromethylaniline;3-Amino-4-methoxybenzotrifluoride;5-(Trifluoromethyl)-o-anisidine;a,a,a-Trifluoro-6-methoxy-m-toluidine;

Article Data 10

2-Methoxy-5-(trifluoromethyl)aniline Specification

The Benzenamine,2-methoxy-5-(trifluoromethyl)-, with CAS registry number 349-65-5, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Miscellaneous. It has the systematic name of 2-methoxy-5-(trifluoromethyl)aniline. This chemical is a kind of beige-greyish to brownish crystalline powder.

Physical properties of Benzenamine,2-methoxy-5-(trifluoromethyl)-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.13; (6)ACD/BCF (pH 7.4): 170.22; (7)ACD/KOC (pH 5.5): 1367; (8)ACD/KOC (pH 7.4): 1375.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 42.14 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 16.7 10-24cm3; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 230.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0671 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-methoxy-5-(trifluoromethyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)c1ccc(OC)c(N)c1
(2)InChI: InChI=1/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
(3)InChIKey: RKUSRLUGUVDNKP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
(5)Std. InChIKey: RKUSRLUGUVDNKP-UHFFFAOYSA-N

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