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Acetamide,N-(4-fluoro-2-nitrophenyl)-

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Name

Acetamide,N-(4-fluoro-2-nitrophenyl)-

EINECS 71-73 °C(lit.)
CAS No. 448-39-5 Density 1.429 g/cm3
PSA 74.92000 LogP 2.28850
Solubility N/A Melting Point 71-73 °C(lit.)
Formula C8H7FN2O3 Boiling Point 383 °C at 760 mmHg
Molecular Weight 198.154 Flash Point 185.4 °C
Transport Information N/A Appearance ochre-yellow crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 448-39-5 (4'-FLUORO-2'-NITROACETANILIDE) Hazard Symbols IrritantXi
Synonyms

Acetanilide,4'-fluoro-2'-nitro- (6CI,8CI);4'-Fluoro-2'-nitroacetanilide;N-(4-fluoro-2-nitrophenyl)acetamide;

Article Data 13

Acetamide,N-(4-fluoro-2-nitrophenyl)- Specification

The Acetamide,N-(4-fluoro-2-nitrophenyl)-, with the CAS registry number 448-39-5, has the systematic name of N-(4-fluoro-2-nitrophenyl)acetamide. And the molecular formula of this chemical is C8H7FN2O3. It is a kind of ochre-yellow crystalline powder, and belongs to the following product categories: Anilines, Amides & Amines; Fluorine Compounds; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Protected Amines.

The physical properties of Acetamide,N-(4-fluoro-2-nitrophenyl)- are as following: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.6; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 119.51; (8)ACD/KOC (pH 7.4): 119.51; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 47.06 cm3; (15)Molar Volume: 138.5 cm3; (16)Polarizability: 18.65×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.429 g/cm3; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 63.15 kJ/mol; (21)Boiling Point: 383 °C at 760 mmHg; (22)Vapour Pressure: 4.54E-06 mmHg at 25°C.

Uses of Acetamide,N-(4-fluoro-2-nitrophenyl)-: It can react with 2'-amino-4'-fluoroacetanilide to produce 2'-amino-4'-fluoroacetanilide. This reaction will need reagent iron, and the solvents acetic acid and H2O. The reaction temperature is 65-80°C, and the yield is about 92%.

Acetamide,N-(4-fluoro-2-nitrophenyl)- can react with 2'-amino-4'-fluoroacetanilide to produce 2'-amino-4'-fluoroacetanilide

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(F)cc1[N+]([O-])=O)C
(2)InChI: InChI=1/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
(3)InChIKey: UZBZEUCQENVPQB-UHFFFAOYAU

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