Product Name

  • Name

    4-Fluoro-3-nitrobenzoic acid

  • EINECS 207-221-3
  • CAS No. 453-71-4
  • Article Data19
  • CAS DataBase
  • Density 1.568 g/cm3
  • 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
  • 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;
  • PSA 83.12000
  • LogP 1.95530

Synthetic route

4-Fluorobenzoic acid
456-22-4

4-Fluorobenzoic acid

3-nitro-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%
trimethylsilylazide
4648-54-8

trimethylsilylazide

4-fluoro-3-nitrobenzoyl chloride
400-94-2

4-fluoro-3-nitrobenzoyl chloride

A

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

B

1-(4-fluoro-3-nitrophenyl)-1,4-dihydro-5H-tetrazol-5-one
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%
4-fluoro-3-nitrobenzonitrile
1009-35-4

4-fluoro-3-nitrobenzonitrile

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

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

4-fluorobenzaldehyde

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
With nitric acid
4-Fluorobenzoic acid
456-22-4

4-Fluorobenzoic acid

nitric acid
7697-37-2

nitric acid

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-Fluorobenzoic acid
456-22-4

4-Fluorobenzoic acid

nitric acid
7697-37-2

nitric acid

A

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

B

4-Fluoronitrobenzene
350-46-9

4-Fluoronitrobenzene

p-fluorotoluene
352-32-9

p-fluorotoluene

3-nitro-4-fluorobenzoic acid
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

toluene-4-diazonium ; sulfate

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: KMnO4
3: nitric acid
View Scheme
C7H3FNO4Pol

C7H3FNO4Pol

3-nitro-4-fluorobenzoic acid
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

4-fluoro-3-nitrobenzoyl chloride
400-94-2

4-fluoro-3-nitrobenzoyl chloride

isopropyl alcohol
67-63-0

isopropyl alcohol

3-nitro-4-fluorobenzoic acid
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-nitrotoluene
446-11-7

4-fluoro-3-nitrotoluene

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

Conditions
ConditionsYield
With potassium dichromate; sulfuric acid; acetic acid Reflux;
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitrobenzoyl chloride
400-94-2

4-fluoro-3-nitrobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In 1,2-dichloro-ethane at 80℃; for 12 - 16h; Product distribution / selectivity;100%
With thionyl chloride for 4h; Reflux;100%
With oxalyl dichloride In N,N-dimethyl-formamide; benzene at 0℃; for 6h; Chlorination;99%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

aniline
62-53-3

aniline

2-nitrodiphenylamine-4-carboxylic acid
16927-49-4

2-nitrodiphenylamine-4-carboxylic acid

Conditions
ConditionsYield
Stage #1: 3-nitro-4-fluorobenzoic acid; aniline In ethanol for 16h; Reflux;
Stage #2: With hydrogenchloride In ethanol; water
100%
In ethanol at 20℃; for 1h;81%
cetyltrimethylammonim bromide In water at 73℃; Mechanism; Rate constant; or without CTAB-catalysis;
2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]ethylammonium chloride

2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]ethylammonium chloride

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

2-pyridin-2-yl-quinoline-4-carboxylic acid [2-(4-fluoro-3-nitro-benzoylamino)-ethyl]-amide
778647-45-3

2-pyridin-2-yl-quinoline-4-carboxylic acid [2-(4-fluoro-3-nitro-benzoylamino)-ethyl]-amide

Conditions
ConditionsYield
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 66h;100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitro-benzoic acid methyl ester
329-59-9

4-fluoro-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
100%
Multi-step reaction with 2 steps
1: (COCl)2; DMF / CH2Cl2 / 0 - 25 °C
2: 0 °C
View Scheme
Multi-step reaction with 2 steps
1: oxalyl chloride; N,N-dimethylformamide / CH2Cl2 / 16 h / 22 °C
2: 52.4 g / triethylamine / CH2Cl2 / 16 h / 22 °C
View Scheme
methanol
67-56-1

methanol

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitro-benzoic acid methyl ester
329-59-9

4-fluoro-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
Stage #1: methanol; 3-nitro-4-fluorobenzoic acid With thionyl chloride at 0 - 20℃;
Stage #2: With water; sodium hydrogencarbonate In ethyl acetate
100%
With sulfuric acid at 80℃;100%
With sulfuric acid at 65℃; for 36h; Large scale;100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

L-valine methylester hydrochloride
6306-52-1

L-valine methylester hydrochloride

4-((S)-1-(methoxycarbonyl)-2-methylpropylamino)-3-nitrobenzoic acid

4-((S)-1-(methoxycarbonyl)-2-methylpropylamino)-3-nitrobenzoic acid

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 20 - 80℃; for 16h;100%
tert-butyl (4-amino-2-methylbutan-2-yl)carbamate
880100-43-6

tert-butyl (4-amino-2-methylbutan-2-yl)carbamate

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-(3-tert-butoxycarbonylamino-3-methyl-butylamino)-3-nitro-benzoic acid
935873-16-8

4-(3-tert-butoxycarbonylamino-3-methyl-butylamino)-3-nitro-benzoic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 60℃; for 168h;100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

(trifluoromethyl)trimethylsilane
81290-20-2

(trifluoromethyl)trimethylsilane

1,1,1,3,3,3-hexafluoro-2-(4-fluoro-3-nitrophenyl)propan-2-ol
35445-59-1

1,1,1,3,3,3-hexafluoro-2-(4-fluoro-3-nitrophenyl)propan-2-ol

Conditions
ConditionsYield
Stage #1: 3-nitro-4-fluorobenzoic acid With thionyl chloride In N,N-dimethyl-formamide for 2h; Reflux;
Stage #2: (trifluoromethyl)trimethylsilane With tetramethylammonium fluoride In 1,2-dimethoxyethane at 20℃; for 12.3333h; Inert atmosphere; Cooling with ice;
100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

ethyl 2-sulfanylacetate
623-51-8

ethyl 2-sulfanylacetate

4-ethoxycarbonylmethylsulfanyl-3-nitrobenzoic acid
204863-51-4

4-ethoxycarbonylmethylsulfanyl-3-nitrobenzoic acid

Conditions
ConditionsYield
With sodium acetate In water at 90℃; for 24h; Inert atmosphere;100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

phenol
108-95-2

phenol

3-nitro-4-phenoxybenzoic acid
202209-14-1

3-nitro-4-phenoxybenzoic acid

Conditions
ConditionsYield
With sodium hydrogencarbonate In water at 80℃; for 6h;100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

L-leucine tert-butyl ester hydrochloride
2748-02-9

L-leucine tert-butyl ester hydrochloride

(S)-2-(4-fluoro-3-nitro-benzoylamino)-4-methyl-pentanoic acid tert-butyl ester
1586791-32-3

(S)-2-(4-fluoro-3-nitro-benzoylamino)-4-methyl-pentanoic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: 3-nitro-4-fluorobenzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.5h;
Stage #2: L-leucine tert-butyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 4h;
100%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 4h;
hexamethylene imine
111-49-9

hexamethylene imine

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-azepan-1-yl-3-nitro-benzoic acid
92109-03-0

4-azepan-1-yl-3-nitro-benzoic acid

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 1h;100%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

(4-fluoro-3-nitrophenyl)methanol
20274-69-5

(4-fluoro-3-nitrophenyl)methanol

Conditions
ConditionsYield
Stage #1: 3-nitro-4-fluorobenzoic acid With sodium tetrahydroborate In tetrahydrofuran at 0℃; for 1h;
Stage #2: With boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃; for 3h;
99.1%
Stage #1: 3-nitro-4-fluorobenzoic acid With sodium tetrahydroborate In tetrahydrofuran at 0℃; for 1h;
Stage #2: With boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃; for 3h;
99.1%
Stage #1: 3-nitro-4-fluorobenzoic acid With sodium tetrahydroborate In tetrahydrofuran at 0℃; for 1h;
Stage #2: With boron trifluoride dimethyl etherate In tetrahydrofuran at 0 - 20℃; for 3h;
97.4%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitro-benzoic acid methyl ester
329-59-9

4-fluoro-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
In diethyl ether ice cooling;99%
methanol
67-56-1

methanol

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

isobutylamine
78-81-9

isobutylamine

ethyl iodide
75-03-6

ethyl iodide

1,1'-Thiocarbonyldiimidazole
6160-65-2

1,1'-Thiocarbonyldiimidazole

2-ethylsulfanyl-1-isobutyl-1H-benzoimidazole-5-carboxylic acid methyl ester

2-ethylsulfanyl-1-isobutyl-1H-benzoimidazole-5-carboxylic acid methyl ester

Conditions
ConditionsYield
Multistep reaction;99%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

methylamine
74-89-5

methylamine

4-(methylamino)-3-nitrobenzoic acid
41263-74-5

4-(methylamino)-3-nitrobenzoic acid

Conditions
ConditionsYield
In methanol; ethanol at 20℃; for 2h;99%
In methanol at 20℃; for 18h;99%
In methanol at 20℃; for 10h;98%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

4-fluoro-3-nitro-benzoic acid methyl ester
329-59-9

4-fluoro-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
With methanol In hexanes; dichloromethane at 0℃; for 1h;99%
In methanol; hexane; toluene at 0 - 20℃; for 0.5h;92%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

methyl iodide
74-88-4

methyl iodide

4-fluoro-3-nitro-benzoic acid methyl ester
329-59-9

4-fluoro-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 3h;99%
With potassium carbonate In acetone
Trimethyl orthoacetate
1445-45-0

Trimethyl orthoacetate

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitro-benzoic acid methyl ester
329-59-9

4-fluoro-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
In toluene at 80℃; for 8h; Esterification;98%
methanol
67-56-1

methanol

bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

isobutylamine
78-81-9

isobutylamine

allyl bromide
106-95-6

allyl bromide

3-allyl-1-isobutyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid methyl ester

3-allyl-1-isobutyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid methyl ester

Conditions
ConditionsYield
Solid phase reaction;98%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

2-hydroxyethanethiol
60-24-2

2-hydroxyethanethiol

4-(2-hydroxyethylthio)-3-nitrobenzoic acid
124416-06-4

4-(2-hydroxyethylthio)-3-nitrobenzoic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide98%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol
678-39-7

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 4-fluoro-3-nitrobenzoate
1390621-27-8

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 4-fluoro-3-nitrobenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 0.5h; Microwave irradiation; Inert atmosphere;98%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

isopropyl alcohol
67-63-0

isopropyl alcohol

3-nitro-4-isopropoxybenzoic acid
156629-52-6

3-nitro-4-isopropoxybenzoic acid

Conditions
ConditionsYield
Stage #1: isopropyl alcohol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.25h; Inert atmosphere;
Stage #2: 3-nitro-4-fluorobenzoic acid In tetrahydrofuran; mineral oil at 0 - 20℃; for 3.5h; Inert atmosphere;
98%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

1-amino-3-methylbenzene
108-44-1

1-amino-3-methylbenzene

3-nitro-4-(m-tolylamino)benzoic acid
452088-49-2

3-nitro-4-(m-tolylamino)benzoic acid

Conditions
ConditionsYield
In 1-methyl-pyrrolidin-2-one at 90℃; for 16h; Inert atmosphere;98%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

3-amino-4-fluorobenzoic acid
2365-85-7

3-amino-4-fluorobenzoic acid

Conditions
ConditionsYield
With hydrogen; 5%-palladium/activated carbon In methanol for 6h;97%
With hydrogen; palladium 10% on activated carbon In methanol under 760.051 Torr; for 3h;96%
With 5%-palladium/activated carbon; hydrogen In ethanol under 12001.2 Torr; Flow reactor;95%
ethanol
64-17-5

ethanol

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

ethyl 4-fluoro-3-nitrobenzoate
367-80-6

ethyl 4-fluoro-3-nitrobenzoate

Conditions
ConditionsYield
With sulfuric acid97%
With hydrogenchloride for 15h; Heating / reflux;95%
With sulfuric acid for 8h; Reflux;93%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

ethanolamine
141-43-5

ethanolamine

4-(2-hydroxy-ethylamino)-3-nitro-benzoic acid
59320-14-8

4-(2-hydroxy-ethylamino)-3-nitro-benzoic acid

Conditions
ConditionsYield
In isopropyl alcohol at 20℃; for 18h;97%
In methanol at 20℃; for 4h;89%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

borane tetrahydrofuran

borane tetrahydrofuran

(4-fluoro-3-nitrophenyl)methanol
20274-69-5

(4-fluoro-3-nitrophenyl)methanol

Conditions
ConditionsYield
In tetrahydrofuran; water97%
3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitrobenzamide
349-02-0

4-fluoro-3-nitrobenzamide

Conditions
ConditionsYield
With N-hydroxybenzotriazole ammonium salt; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide; acetonitrile at 0 - 20℃; for 4h;97%
With N-hydroxybenzotriazole ammonium salt; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide; acetonitrile at 0 - 20℃; for 4h;97%
Stage #1: 3-nitro-4-fluorobenzoic acid With thionyl chloride at 80℃; for 2h;
Stage #2: With ammonia In tetrahydrofuran; dichloromethane at 0℃; for 1h;
96%
1-amino-3-methylbutane
107-85-7

1-amino-3-methylbutane

ethanol
64-17-5

ethanol

3-nitro-4-fluorobenzoic acid
453-71-4

3-nitro-4-fluorobenzoic acid

ethyl 4-(isopentylamino)-3-nitrobenzoate

ethyl 4-(isopentylamino)-3-nitrobenzoate

Conditions
ConditionsYield
Stage #1: ethanol; 3-nitro-4-fluorobenzoic acid With sulfuric acid Reflux;
Stage #2: 1-amino-3-methylbutane With triethylamine Reflux;
97%

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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