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| CAS No.: | 403-24-7 |
|---|---|
| Name: | 2-Fluoro-4-nitrobenzoic acid |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4FNO4 |
| Molecular Weight: | 185.111 |
| Synonyms: | NSC 190361;2-fluoro-4-nitrobenzenecarboxylic acid; |
| EINECS: | -0 |
| Density: | 1.568 g/cm3 |
| Melting Point: | 170 °C |
| Boiling Point: | 352.5 °C at 760 mmHg |
| Flash Point: | 167 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-37/39-36/37/39-22 |
| PSA: | 83.12000 |
| LogP: | 1.95530 |
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| 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 | Yield |
|---|---|
| With copper (II) nitrate tetrahydrate; oxygen In acetonitrile at 180℃; under 18751.9 Torr; for 1.5h; Green chemistry; | 69% |
| Conditions | Yield |
|---|---|
| With potassium dichromate; sulfuric acid at 90℃; for 3h; | 62% |
| 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; |
| 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 | 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 | 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
| 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 | 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 | Yield |
|---|---|
| In ethanol at 80℃; for 16h; Sealed tube; | 91% |
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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.
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.
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