- 3-Fluorobenzoic acid
- 3-Fluorobenzoic hydrazide
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- 455-68-5Benzoic acid, 3-fluoro-, methyl ester
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Cas Database |
| Name |
3-Fluorobenzoic acid |
EINECS | 207-248-0 |
| CAS No. | 455-38-9 | Density | 1.319 g/cm3 |
| PSA | 37.30000 | LogP | 1.52390 |
| Solubility | Very soluble in water. | Melting Point |
122-124 °C(lit.) |
| Formula | C7H5FO2 | Boiling Point | 251.1 °C at 760 mmHg |
| Molecular Weight | 140.114 | Flash Point | 105.7 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 22-28-24/25-37/39-26-36 | Risk Codes | 37/38-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzoic acid, m-fluoro- (8CI);Benzoic acid, m-fluoro-;Benzoic acid, 3-fluoro-;3-fluorobenzoic acid;m-fluorobenzoic acid; |
Article Data | 120 |
3-Fluorobenzoic acid Synthetic route
| Conditions | Yield |
|---|---|
| With potassium ferrate(VI) In neat (no solvent) for 2h; Milling; | 98.9% |
| With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 70℃; under 760.051 Torr; for 12h; | 98% |
| With oxygen; Langlois reagent In acetonitrile at 25℃; under 760.051 Torr; for 12h; Irradiation; Green chemistry; | 95% |
| Conditions | Yield |
|---|---|
| With oxygen; pyridinium chlorochromate In water at 120℃; under 45004.5 Torr; for 2h; | 95% |
| With copper(l) iodide; oxygen; nitric acid at 160℃; under 11251.1 - 18751.9 Torr; for 4.7h; Autoclave; | 84.7% |
| With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen In acetonitrile at 60℃; Irradiation; | 83% |
| Conditions | Yield |
|---|---|
| With pyridine hydrogenfluoride; sodium nitrite 1.) O deg C, 20 min, 2.) 80 deg C, 1 h; | 95% |
| With hydrogen fluoride; sodium nitrite | |
| Ueberfuehrung in die Diazoaminoverbindung und Zersetzung mit rauchender Fluorwasserstoffsaeure; | |
| With pyridine; hydrogen fluoride; sodium nitrite 1.) room temperature, 2.) 0 deg C, 3.) 80 deg C; Yield given. Multistep reaction; | |
| Stage #1: meta-aminobenzoic acid With sodium nitrite at 70℃; for 1.5h; Schiemann Aromatic Fluorination; Stage #2: With hydrogen fluoride; boric acid Stage #3: In toluene at 110℃; |
| Conditions | Yield |
|---|---|
| With dichloro(1,5-cyclooctadiene)ruthenium(II); C30H30N3P2(1+)*Cl(1-); potassium hydroxide In toluene at 120℃; for 24h; Inert atmosphere; Schlenk technique; | 94% |
| With lithium hydroxide monohydrate; oxygen In water at 25℃; for 12h; | 93% |
| With picoline; tert.-butylhydroperoxide; chlorophyllin coppered trisodium salt In water at 80℃; for 15h; Temperature; chemoselective reaction; | 93% |
- 455-38-9
3-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 60℃; for 3h; Inert atmosphere; | 94% |
| With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 50℃; for 5h; Inert atmosphere; | 94% |
- 455-38-9
3-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| With water; tetra-(n-butyl)ammonium iodide at 80℃; for 15h; Reagent/catalyst; | 91% |
| With zinc diacetate; water; tetra-(n-butyl)ammonium iodide at 80℃; for 24h; | 90% |
| With tetra-(n-butyl)ammonium iodide; acetic acid In water at 80℃; for 15h; Reagent/catalyst; | 84% |
- 1041469-36-6
1-(3-fluorophenyl)ethane-1,2-diol
- 455-38-9
3-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; potassium tert-butylate In water at 80℃; for 8h; | 87% |
| Conditions | Yield |
|---|---|
| With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox; | 87% |
| Conditions | Yield |
|---|---|
| With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; regioselective reaction; | 86% |
| With [Au(1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)(O2CAd)] In toluene at 120℃; regioselective reaction; |
- 67-56-1
methanol
- 1073-06-9
3-fluorobromobenzene
- 201230-82-2
carbon monoxide
A
- 455-38-9
3-fluorobenzoic acid
B
- 455-68-5
methyl 3-fluorobenzoate
| Conditions | Yield |
|---|---|
| With tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 7h; Irradiation; | A 8% B 85% |
3-Fluorobenzoic acid Chemical Properties
Molecular Structure:
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Molecular Formula: C7H5FO2
Molecular Weight: 140.1118
IUPAC Name: 3-Fluorobenzoic acid
Synonyms of m-Fluorobenzoic acid (CAS NO.455-38-9): 3-Fluorobenzoic acid ; EINECS 207-248-0 ; NSC 10320 ; Benzoic acid, 3-fluoro- ; Benzoic acid, m-fluoro- (8CI)
CAS NO: 455-38-9
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts ; BenzoicAcidDerivative ; Benzoic acid ; Fluorobenzene ; Acids & Esters ; Fluorine Compounds ; C7 ; Carbonyl Compounds ; Carboxylic Acids
Melting point: 122-124 °C
Index of Refraction: 1.537
Molar Refractivity: 33.17 cm3
Molar Volume: 106.1 cm3
Surface Tension: 46 dyne/cm
Density: 1.319 g/cm3
Flash Point: 105.7 °C
Enthalpy of Vaporization: 51.6 kJ/mol
Boiling Point: 251.1 °C at 760 mmHg
Vapour Pressure: 0.0109 mmHg at 25°C
3-Fluorobenzoic acid Uses
m-Fluorobenzoic acid (CAS NO.455-38-9) is used as a intermediate in the fields of organic synthesis,medicine,agricultural chemical and liquid crystal material.
3-Fluorobenzoic acid Safety Profile
Safety Information of m-Fluorobenzoic acid (CAS NO.455-38-9):
Hazard Codes: Xi 
Risk Statements: 37/38-36/37/38
37/38: Irritating to respiratory system and skin
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-28-24/25-37/39-26-36
22: Do not breathe dust
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36 :Wear suitable protective clothing
WGK Germany: 1
Hazard Note: Irritant
TSCA: T
HS Code: 29163900
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