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Basic Information
CAS No.: 437-83-2
Name: 3-Fluoro-2-methoxyaniline
Article Data: 8
Molecular Structure:
Molecular Structure of 437-83-2 (3-Fluoro-2-methoxyaniline)
Formula: C7H8FNO
Molecular Weight: 141.145
Synonyms: o-Anisidine,3-fluoro- (8CI);2-Amino-6-fluoroanisole;3-Fluoro-2-methoxyaniline;3-Fluoro-2-methoxyphenylamine;
Density: 1.176g/cm3
Melting Point: 162 °C
Boiling Point: 217.9 °C at 760 mmHg
Flash Point: 42.2 °C
Appearance: Brown crystal
Hazard Symbols: FlammableF; IrritantXi
Risk Codes: 11-36/37/38
Safety: 16-26-36
PSA: 35.25000
LogP: 1.99770
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    3-Fluoro-2-methoxyaniline

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  • 3-Fluoro-2-methoxyaniline

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    3-Fluoro-2-methoxyaniline

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Specification

The Benzenamine,3-fluoro-2-methoxy-, with CAS registry number 437-83-2, has the systematic name of 3-fluoro-2-methoxyaniline. This chemical belongs to the following product categories: (1)Miscellaneous; (2)Amines; (3)Phenyls & Phenyl-Het. And the chemical formula of this chemical is C7H8FNO.

Physical properties of Benzenamine,3-fluoro-2-methoxy-: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.94; (6)ACD/BCF (pH 7.4): 8.02; (7)ACD/KOC (pH 5.5): 152.86; (8)ACD/KOC (pH 7.4): 154.45; (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: 42.2 °C; (20)Enthalpy of Vaporization: 45.43 kJ/mol; (21)Boiling Point: 217.9 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25°C.

Preparation: this chemical can be prepared by bromo-4 fluoro-2 nitro-6 anisole. This reaction will need reagents hydrogen, KOH and solvent methanol. The reaction time is 1 hour(s). The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,3-fluoro-2-methoxy- irritates to eyes, respiratory system and skin. And this chemical is highly flammable, so keep it away from sources of ignition. 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: Fc1cccc(N)c1OC
(2)InChI: InChI=1/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
(3)InChIKey: RCYMPYMITUEHOJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
(5)Std. InChIKey: RCYMPYMITUEHOJ-UHFFFAOYSA-N