2-Fluoro-4-nitrobenzoic acid supplier

Name
2-Fluoro-4-nitrobenzoic acid
EINECS -0
CAS No. 403-24-7
Article Data27
CAS DataBase
Density 1.568 g/cm³
Solubility
Melting Point 170 °C
Formula C₇H₄FNO₄
Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 185.111
Flash Point 167 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-37/39-36/37/39-22
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xi, Xn
Synonyms NSC 190361;2-fluoro-4-nitrobenzenecarboxylic acid;
PSA 83.12000
LogP 1.95530

Synthetic route

: 1427-07-2
2-fluoro-4-nitrotoluene

: 403-24-7
2-fluoro-4-nitrobenzoic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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 methanol	100%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: ethyl 5,6-dihydro-4H-benzo[b]thieno[2,3-d]azepine-2-carboxylate hydrobromide

: ethyl 6-(2-fluoro-4-nitrobenzoyl)-5,6-dihydro-4H-benzo[b]thieno[2,3-d]azepine-2-carboxylate

Conditions

Conditions	Yield
Stage #1: 2-fluoro-4-nitrobenzoic acid With thionyl chloride In dichloromethane for 2h; Reflux; Stage #2: ethyl 5,6-dihydro-4H-benzo[b]thieno[2,3-d]azepine-2-carboxylate hydrobromide With pyridine In acetonitrile at 20 - 50℃; for 5h;	88%

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 350-32-3
2-fluoro-4-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-fluoro-4-nitrobenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 25℃; for 4h; Stage #2: With ammonia In water for 0.166667h;	85%
With pyridine; ammonium chloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate	53%
With pyridine; ammonium chloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide	53%

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 774239-17-7
2-fluoro-N-methoxy-N-methyl-4-nitrobenzamide

Conditions

Conditions	Yield
With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 60℃; for 15h;	85%
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20℃;

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 157701-72-9
4-nitro-2-fluorobenzaldehyde

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 80℃; for 3h;	83%

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 506-59-2
N,N-dimethylammonium chloride

: 1187368-66-6
2-fluoro-N,N-dimethyl-4-nitro-benzamide

Conditions

Conditions	Yield
With ethylene dichloride hydrochloride; benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide at 20℃; for 12h;	81%
Stage #1: 2-fluoro-4-nitrobenzoic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 1h; Stage #2: N,N-dimethylammonium chloride With triethylamine In dichloromethane for 1h;	60%

: 41838-46-4
1-methyl-4-aminopiperidine

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 957855-56-0
2-fluoro-N-(1-methyl-4-piperidyl)-4-nitro-benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In ISOPROPYLAMIDE at 20℃; for 4h;	78%
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 18 - 25℃; for 18h;	59%
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 17 - 25℃; for 18h;	59%
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 18 - 25℃; for 18h;	59%
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20 - 40℃;

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 69411-67-2
2-fluoro-4-nitro-1-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With sulfur tetrafluoride; hydrogen fluoride at 85℃; for 24h; Autoclave; Inert atmosphere;	78%

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 75-65-0
tert-butyl alcohol

: 157665-46-8
tert-butyl 2-fluoro-4-nitrobenzoate

Conditions

Conditions	Yield
With pyridine; p-toluenesulfonyl chloride at 0℃; for 19h;	75%
With pyridine; p-toluenesulfonyl chloride at 0℃; for 19h;	75%
With pyridine; p-toluenesulfonyl chloride 1.) 15 deg C, 5 min, 2.) RT, 2.5 h; Yield given. Multistep reaction;
With pyridine; p-toluenesulfonyl chloride for 19h;	524 mg

: 870-46-2
t-butoxycarbonylhydrazine

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 590421-50-4
N'-(2-fluoro-4-nitrobenzoyl)hydrazinecarboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With 3-methyl-N-(3-methylbutyl)-1-butanamine; HATU In N,N-dimethyl-formamide at 20℃;	57%
Stage #1: 2-fluoro-4-nitrobenzoic acid With N-ethyl-N,N-diisopropylamine; HATU In DMF (N,N-dimethyl-formamide) at 20℃; for 0.333333h; Stage #2: t-butoxycarbonylhydrazine In DMF (N,N-dimethyl-formamide) at 20℃;	57%

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: 100-53-8
phenylmethanethiol

: 92163-95-6
2-(benzylsulfanyl)-4-nitrobenzoic acid

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 65℃; for 35h;	55.5%

: 77668-69-0
(14S,16S,32R,33R,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl methyl-L-alaninate

: 403-24-7
2-fluoro-4-nitrobenzoic acid

: C39H46ClFN4O12

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 72h; Inert atmosphere;	35%

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

Product Name

2-Fluoro-4-nitrobenzoic acid

Synthetic route

2-Fluoro-4-nitrobenzoic acid Specification

Related Products

Hot Products