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2-Amino-5-methoxybenzotrifluoride

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Name

2-Amino-5-methoxybenzotrifluoride

EINECS N/A
CAS No. 53903-49-4 Density 1.281 g/cm3
PSA 35.25000 LogP 2.87740
Solubility N/A Melting Point N/A
Formula C8H8F3N Boiling Point 234.491 °C at 760 mmHg
Molecular Weight 191.153 Flash Point 95.617 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53903-49-4 (2-AMINO-5-METHOXYBENZOTRIFLUORIDE) Hazard Symbols IrritantXi
Synonyms

2-Trifluoromethyl-4-methoxyaniline;4-Amino-3-trifluoromethylanisole;4-Methoxy-2-trifluoromethylaniline;

Article Data 14

2-Amino-5-methoxybenzotrifluoride Specification

The Benzenamine,4-methoxy-2-(trifluoromethyl)-, with the CAS registry number 53903-49-4, is also known as 4-Amino-3-trifluoromethylanisole. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C8H8F3NO and molecular weight is 191.15. What's more, its systematic name is 4-methoxy-2-(trifluoromethyl)aniline.

Physical properties of Benzenamine,4-methoxy-2-(trifluoromethyl)- are: (1)ACD/LogD (pH 5.5): 3; (2)ACD/LogD (pH 7.4): 3; (3)ACD/BCF (pH 5.5): 67; (4)ACD/BCF (pH 7.4): 67; (5)ACD/KOC (pH 5.5): 708; (6)ACD/KOC (pH 7.4): 708; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 42.147 cm3; (13)Molar Volume: 149.227 cm3; (14)Polarizability: 16.709×10-24cm3; (15)Surface Tension: 29.232 dyne/cm; (16)Density: 1.281 g/cm3; (17)Flash Point: 95.617 °C; (18)Enthalpy of Vaporization: 47.123 kJ/mol; (19)Boiling Point: 234.491 °C at 760 mmHg; (20)Vapour Pressure: 0.053 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(OC)cc1C(F)(F)F
(2)InChI: InChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3
(3)InChIKey: BTRQZDUCUGJMPS-UHFFFAOYSA-N

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