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2-Fluoro-4-nitrobenzoic acid

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Name

2-Fluoro-4-nitrobenzoic acid

EINECS -0
CAS No. 403-24-7 Density 1.568 g/cm3
PSA 83.12000 LogP 1.95530
Solubility N/A Melting Point 170 °C
Formula C7H4FNO4 Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 185.111 Flash Point 167 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-37/39-36/37/39-22 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 403-24-7 (2-Fluoro-4-nitrobenzoic acid) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

NSC 190361;2-fluoro-4-nitrobenzenecarboxylic acid;

Article Data 27

2-Fluoro-4-nitrobenzoic acid Synthetic route

1427-07-2

2-fluoro-4-nitrotoluene

403-24-7

2-fluoro-4-nitrobenzoic acid

Conditions
ConditionsYield
With chromium(VI) oxide; periodic acid In acetonitrile for 1h;81%
With chromium(VI) oxide; periodic acid In acetonitrile for 1h;81%
With chromium(VI) oxide; periodic acid In acetonitrile for 1h; Inert atmosphere;81%
866579-96-6

1-(2-fluoro-4-nitrophenyl)ethanone

403-24-7

2-fluoro-4-nitrobenzoic acid

Conditions
ConditionsYield
With copper (II) nitrate tetrahydrate; oxygen In acetonitrile at 180℃; under 18751.9 Torr; for 1.5h; Green chemistry;69%
1427-07-2

2-fluoro-4-nitrotoluene

64-19-7

acetic acid

403-24-7

2-fluoro-4-nitrobenzoic acid

Conditions
ConditionsYield
With potassium dichromate; sulfuric acid at 90℃; for 3h;62%
403-24-7

2-fluoro-4-nitrobenzoic acid

446-31-1

2-fluoro-4-aminobenzoic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; under 760 Torr;100%
With hydrogen; palladium over charcoal In methanol; acetic acid at 20℃; under 760.051 Torr;100%
With hydrogen; palladium 10% on activated carbon In methanol100%
With ammonium hydroxide; iron(II) sulfate
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 16h;
403-24-7

2-fluoro-4-nitrobenzoic acid

403-23-6

2-fluoro-4-nitrobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride at 80℃; for 3h;100%
With thionyl chloride In toluene for 3h; Heating;86%
With thionyl chloride
403-24-7

2-fluoro-4-nitrobenzoic acid

18107-18-1

diazomethyl-trimethyl-silane

392-09-6

2-fluoro-4-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
In methanol; diethyl ether; toluene at 20℃; for 1.5h;100%
In methanol
403-24-7

2-fluoro-4-nitrobenzoic acid

123183-72-2

N-(tert-butyl)oxycarbonyl-N,N’-trimethyl-1,3-diaminopropane

1246246-94-5

tert-Butyl (3-{[(2-fluoro-4-nitrophenyl)carbonyl](methyl)amino}propyl)methylcarbamate

Conditions
ConditionsYield
Stage #1: 2-fluoro-4-nitrobenzoic acid With pivaloyl chloride; triethylamine In dichloromethane at 20℃; for 0.25h; Cooling with ice;
Stage #2: N-(tert-butyl)oxycarbonyl-N,N’-trimethyl-1,3-diaminopropane In dichloromethane at 20℃; for 2h; Cooling with ice;
100%
403-24-7

2-fluoro-4-nitrobenzoic acid

5-chloro-4-(1-(phenylsulfonyl)-1-indol-3-yl)-N-(piperidin-4-yl)pyrimidin-2-amine

(4-(5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-ylamino)piperidin-1-yl)(2-fluoro-4-nitrophenyl)methanone

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 23℃;100%
67-56-1

methanol

403-24-7

2-fluoro-4-nitrobenzoic acid

392-09-6

2-fluoro-4-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
With sulfuric acid for 4h; Reflux;99%
With sulfuric acid Reflux;98%
With sulfuric acid for 15h; Reflux; Large scale;95%
403-24-7

2-fluoro-4-nitrobenzoic acid

74-89-5

methylamine

49565-62-0

2-(methylamino)-4-nitro-benzoic acid

Conditions
ConditionsYield
In ethanol at 80℃; for 16h; Sealed tube;91%

2-Fluoro-4-nitrobenzoic acid Specification

The systematic name of this chemical is 2-fluoro-4-nitrobenzoic acid. With the CAS registry number 403-24-7, it is also named as 2-fluoro-4-nitrobenzenecarboxylic acid. And the molecular formula of this chemical is C7H4FNO4. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic acid; Miscellaneous.

The physical properties of 2-Fluoro-4-nitrobenzoic acid are as following: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 83.12 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 39.722 cm3; (13)Molar Volume: 118.014 cm3; (14)Polarizability: 15.747×10-24cm3; (15)Surface Tension: 62.642 dyne/cm; (16)Density: 1.569 g/cm3; (17)Flash Point: 167.007 °C; (18)Enthalpy of Vaporization: 63.037 kJ/mol; (19)Boiling Point: 352.534 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2-Fluoro-4-nitrobenzoic acid: This chemical can be prepared by 2-fluoro-4-nitro-toluene. The reaction will need reagent aq. KMnO4 and heating. 

2-Fluoro-4-nitrobenzoic acid can be prepared by 2-fluoro-4-nitro-toluene

Uses of 2-Fluoro-4-nitrobenzoic acid: It can be used to produce 2-fluoro-4-nitro-benzoyl chloride. This reaction will need reagents (COCl)2 and DMF, and the solvent tetrahydrofuran. The reaction time is 3 hours with temperature of 0-20°C.

2-Fluoro-4-nitrobenzoic acid can be used to produce 2-fluoro-4-nitro-benzoyl chloride 

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; 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.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1[N+](=O)[O-])F)C(=O)O
(2)InChI: InChI=1/C7H4FNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: MMWFMFZFCKADEL-UHFFFAOYAV

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