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4-Fluoro-3-nitrobenzoic acid

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Name

4-Fluoro-3-nitrobenzoic acid

EINECS 207-221-3
CAS No. 453-71-4 Density 1.568 g/cm3
PSA 83.12000 LogP 1.95530
Solubility insoluble in water Melting Point 120-126 °C
Formula C7H4FNO4 Boiling Point 356.9 °C at 760 mmHg
Molecular Weight 185.111 Flash Point 169.6 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36-24/25 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 453-71-4 (4-Fluoro-3-nitrobenzoic acid) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

4-fluoro-3-nitro-benzoate;3-Nitro-4-fluorobenzoic acid;4-fluoro-3-nitro-benzoic acid;

Article Data 19

4-Fluoro-3-nitrobenzoic acid Synthetic route

456-22-4

4-Fluorobenzoic acid

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; potassium nitrate at 20℃;90%
With sulfuric acid; potassium nitrate at 20℃;88%
With sulfuric acid; nitric acid at 20℃; for 10h;75%
4648-54-8

trimethylsilylazide

400-94-2

4-fluoro-3-nitrobenzoyl chloride

A

453-71-4

3-nitro-4-fluorobenzoic acid

B

1309832-87-8

1-(4-fluoro-3-nitrophenyl)-1,4-dihydro-5H-tetrazol-5-one

Conditions
ConditionsYield
at 20 - 90℃; Inert atmosphere;A n/a
B 70%
1009-35-4

4-fluoro-3-nitrobenzonitrile

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
With sulfuric acid at 120℃; for 8h; Sealed tube;52%
459-57-4

4-fluorobenzaldehyde

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
With nitric acid
456-22-4

4-Fluorobenzoic acid

7697-37-2

nitric acid

453-71-4

3-nitro-4-fluorobenzoic acid

456-22-4

4-Fluorobenzoic acid

7697-37-2

nitric acid

A

453-71-4

3-nitro-4-fluorobenzoic acid

B

350-46-9

4-Fluoronitrobenzene

352-32-9

p-fluorotoluene

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KMnO4
2: nitric acid
View Scheme

toluene-4-diazonium ; sulfate

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: KMnO4
3: nitric acid
View Scheme

C7H3FNO4Pol

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
Stage #1: C7H3FNO4Pol With acetic anhydride In dichloromethane for 2h;
Stage #2: With trifluoroacetic acid In 1,2-dichloro-ethane for 1h;
TFAN1,2-dichloroethane

TFAN1,2-dichloroethane

400-94-2

4-fluoro-3-nitrobenzoyl chloride

67-63-0

isopropyl alcohol

453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
With acetic anhydride; N-ethyl-N,N-diisopropylamine In water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; acetonitrile

4-Fluoro-3-nitrobenzoic acid Consensus Reports

First Aid Measures :
Ingestion:Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Storage:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.

Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

4-Fluoro-3-nitrobenzoic acid Specification

The 4-Fluoro-3-nitrobenzoic acid, with the CAS registry number 453-71-4, is also known as p-Fluoro-3-nitrobenzoic acid. It belongs to the product categories of Blocks; Carboxes; Fluoro Compounds; Nitro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Miscellaneous; Fluorobenzoic Acids; Benzenes; C7 Fluorescent Probes, Labels, Particles and Stains; Carbonyl Compounds; Carboxylic Acids; Fluorescent Labels; Other Fluorescent Labels; Benzoic Acid Series. Its EINECS registry number is 207-221-3. This chemical's molecular formula is C7H4FNO4 and molecular weight is 185.109363. Its IUPAC name is called 4-fluoro-3-nitrobenzoic acid. The product should be sealed and stored in dry and well-ventilated place. What's more, it should be protected from strong oxides.

Physical properties of 4-Fluoro-3-nitrobenzoic acid: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): -0.25; (3)ACD/LogD (pH 7.4): -1.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.28; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 39.72 cm3; (13)Molar Volume: 118 cm3; (14)Surface Tension: 62.6 dyne/cm; (15)Density: 1.568 g/cm3; (16)Flash Point: 169.6 °C; (17)Enthalpy of Vaporization: 63.54 kJ/mol; (18)Boiling Point: 356.9 °C at 760 mmHg; (19)Vapour Pressure: 1.03E-05 mmHg at 25°C.

Uses of 4-Fluoro-3-nitrobenzoic acid: it can be used to produce 4-fluoro-3-nitro-benzoyl chloride. This reaction is a kind of Substitution.

4-Fluoro-3-nitrobenzoic acid can be used to produce 4-fluoro-3-nitro-benzoyl chloride

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F
(2)InChI: InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
(3)InChIKey: BOJWTAQWPVBIPG-UHFFFAOYSA-N

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