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4-Fluoro-N-methylaniline

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Name

4-Fluoro-N-methylaniline

EINECS 207-294-1
CAS No. 459-59-6 Density 1.106 g/cm3
PSA 12.03000 LogP 1.94040
Solubility N/A Melting Point N/A
Formula C7H8FN Boiling Point 181.4 °C at 760 mmHg
Molecular Weight 125.146 Flash Point 63.5 °C
Transport Information UN 2810 Appearance clear yellowish liquid
Safety 26-36/37/39 Risk Codes 22-37/38-41-43-52/53
Molecular Structure Molecular Structure of 459-59-6 (4-FLUORO-N-METHYLANILINE) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Aniline,p-fluoro-N-methyl- (6CI,7CI,8CI);4-Fluoro-N-methylaniline;4-Fluoro-N-methylbenzenamine;N-(4-Fluorophenyl)-N-methylamine;N-(4-Fluorophenyl)methylamine;N-Methyl-4-fluoroaniline;N-Methyl-p-fluoroaniline;p-Fluoro-N-methylaniline;

Article Data 72

4-Fluoro-N-methylaniline Specification

The Benzenamine, 4-fluoro-N-methyl-, with the CAS registry number of 459-59-6, is also known as 4-Fluoro-N-methylbenzenamine. It belongs to the product categories of Amines; C7; Nitrogen Compounds. Its EINECS registry number is 207-294-1. This chemical's molecular formula is C7H8FN and molecular weight is 125.14. What's more, its IUPAC name is 4-Fluoro-N-methylaniline. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with incompatible material, oxidant, acid, acid chloride, anhydride, ignition source.

Physical properties about Benzenamine, 4-fluoro-N-methyl- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 17.51; (6)ACD/BCF (pH 7.4): 20.93; (7)ACD/KOC (pH 5.5): 256.54; (8)ACD/KOC (pH 7.4): 306.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 35.85 cm3; (15)Molar Volume: 113 cm3; (16)Surface Tension: 34 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 63.5 °C; (19)Enthalpy of Vaporization: 41.77 kJ/mol; (20)Boiling Point: 181.4 °C at 760 mmHg; (21)Vapour Pressure: 0.853 mmHg at 25 °C.

Preparation: this chemical is prepared by Formic acid-(4-fluoro-anilide). The reaction needs reagent LiAlH4 and solvent Diethyl ether. The yield is about 78 %.

Uses: it is used to produce other chemicals. For example, it is used to produce N-Methyl-4-fluoroformanilide by heating. The reaction needs reagent conc. H2SO4. The yield is about 46 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. In addition, this chemical is harmful if swallowed. And it is harmful to aquatic organisms. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: Fc1ccc(NC)cc1
(2) InChI: InChI=1/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
(3) InChIKey: VLWRKVBQUANIGI-UHFFFAOYAV

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