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3-Fluoro-4-methoxyaniline

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Name

3-Fluoro-4-methoxyaniline

EINECS -0
CAS No. 366-99-4 Density 1.176 g/cm3
PSA 35.25000 LogP 1.99770
Solubility N/A Melting Point 81-83 °C(lit.)
Formula C7H8FNO Boiling Point 253.4 °C at 760 mmHg
Molecular Weight 141.145 Flash Point 101.2 °C
Transport Information UN 2811 Appearance light beige to yellow-brown crystalline powder
Safety 26-45-38-36/37/39-28A Risk Codes 20/21/22-36/37/38-23/24/25
Molecular Structure Molecular Structure of 366-99-4 (3-Fluoro-4-methoxyaniline) Hazard Symbols HarmfulXn,IrritantXi,ToxicT
Synonyms

p-Anisidine,3-fluoro- (8CI);(3-Fluoro-4-methoxyphenyl)amine;3-Fluoro-4-methoxybenzenamine;3-Fluoro-p-anisidine;3-Fluoroanisidine;4-Amino-2-fluoroanisole;[3-Fluoro-4-(methyloxy)phenyl]amine;2-Fluoro-4-aminoanisole;Benzenamine, 3-fluoro-4-methoxy-;

Article Data 16

3-Fluoro-4-methoxyaniline Specification

The 3-Fluoro-4-methoxyaniline, with the CAS registry number 366-99-4, is a kind of light beige to yellow-brown crystalline powder, and belongs to the following product categories: Other fluorin-contained compounds; Anilines, Aromatic Amines and Nitro Compounds; Aniline; Miscellaneous; Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. And the molecular formula of this chemical is C7H8FNO.

The physical properties of 3-Fluoro-4-methoxyaniline are as following: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.16; (6)ACD/BCF (pH 7.4): 4.36; (7)ACD/KOC (pH 5.5): 95.3; (8)ACD/KOC (pH 7.4): 99.82; (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: 1.531; (14)Molar Refractivity: 37.16 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 14.73 ×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 101.2 °C; (20)Enthalpy of Vaporization: 49.07 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0184 mmHg at 25°C.

Preparation of 3-Fluoro-4-methoxyaniline: This chemical can be prepared by 2-fluoro-4-nitro-anisole. The reaction will need reagent tin(II) chloride. 

3-Fluoro-4-methoxyaniline can be prepared by 2-fluoro-4-nitro-anisole

Uses of 3-Fluoro-4-methoxyaniline: It can react with trifluoroacetic acid anhydride to produce N-trifluoroacetyl-3-fluoro-4-methoxyaniline. This reaction will need solvent CH2Cl2. The reaction time is 45 minutes with heating, and the yield is about 94%. 

3-Fluoro-4-methoxyaniline can react with trifluoroacetic acid anhydride to produce N-trifluoroacetyl-3-fluoro-4-methoxyaniline

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. What's more, it is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible); After contact with skin, wash immediately with plenty of soap-suds. 

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1OC)N
(2)InChI: InChI=1/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
(3)InChIKey: LJWAPDSCYTZUJU-UHFFFAOYAI

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