2-Chloro-4-fluorobenzoic acid supplier

Name
2-Chloro-4-fluorobenzoic acid
EINECS 218-845-0
CAS No. 2252-51-9
Article Data11
CAS DataBase
Density 1.477 g/cm³
Solubility
Melting Point 181-183 °C(lit.)
Formula C₇H₄ClFO₂
Boiling Point 271.9 °C at 760 mmHg
Molecular Weight 174.559
Flash Point 118.2 °C
Transport Information
Appearance white powder or flakes
Safety 26-36/37/39-37/39-36
Risk Codes 22-37/38-41-36/37/38
Molecular Structure
Hazard Symbols Xi, Xn
Synonyms 2-Chloro-4-fluorobenzoicacid;
PSA 37.30000
LogP 2.17730

Synthetic route

: 2457-76-3
4-amino-2-chlorobenzoic acid

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-amino-2-chlorobenzoic acid With dihydrogen peroxide In water at 40 - 50℃; for 3h; Ionic liquid; Stage #2: With potassium fluoride In water at 40 - 50℃; for 3h; Temperature;	97.5%

: 452-73-3
2-chloro-4-fluorotoluene

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
With di-tert-butyl peroxide; hydrogen bromide; oxygen; cobalt(II) acetate; manganese(II) acetate In acetic acid at 130 - 160℃; under 15514.4 Torr; for 3h;	92%
With potassium dichromate; sulfuric acid

: 84194-36-5
2-chloro-4-fluorobenzaldehyde

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium chlorite In water; acetonitrile at 0 - 80℃; for 1h;	90.8%

: 201230-82-2
carbon monoxide

: 101335-11-9
2-chloro-4-fluoro-1-iodobenzene

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
With water; palladium diacetate; triethylamine; triphenylphosphine In 1,4-dioxane at 110℃; under 11251.1 Torr; for 2h; Flow reactor;	89%

: 700-35-6
2'-chloro-4'-fluoroacetophenone

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
With sodium hypobromide

: 625-98-9
3-chlorofluorobenzene

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: AlCl3 / CS2 / Heating 2: aq. sodium hypobromite View Scheme

: disodium hydrogenphosphate

: 157165-30-5
phenyl 2-chloro-4-fluorobenzoate

: 2-chloro-4-fluoro-4'-methylbenzophenone

: 2252-51-9
2-choro-4-fluorobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; acetic anhydride; urea In dichloromethane; water

...Expand

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 114776-15-7
2-chloro-4-fluoro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 0 - 10℃; for 2h;	99%
Stage #1: 2-choro-4-fluorobenzoic acid With zirconium chloride; sulfuric acid; cobalt(II) chloride In ethanol; water at 25℃; for 1h; Stage #2: With nitric acid In ethanol; water at -5 - 8℃; for 1h; Temperature;	97.1%
With sulfuric acid; nitric acid at 20℃; for 1h;	96%

: 67-56-1
methanol

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 85953-29-3
methyl 2-chloro-4-fluorobenzoate

Conditions

Conditions	Yield
With chloro-trimethyl-silane at 20℃; for 24h;	99%
With sulfuric acid at 60℃; for 17h;	96%
With thionyl chloride	95%
With sulfuric acid at 60℃; for 10h;	92%
With sulfuric acid

: 371-41-5
4-Fluorophenol

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 4-fluoro-2-(4-fluorophenoxy)benzoic acid

Conditions

Conditions	Yield
With pyridine; copper(l) iodide; copper; potassium carbonate In water for 2h; Heating / reflux;	99%
With pyridine; copper(l) iodide; copper; potassium carbonate In water for 2h; Heating / reflux;	99%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 264927-52-8
2-chloro-4-fluoro-5-iodobenzoic acid

Conditions

Conditions	Yield
With sodium iodate; iodine In sulfuric acid at 20℃; for 8h;	99%

: 2252-51-9
2-choro-4-fluorobenzoic acid

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

: 2-chloro-4-fluoro-N-methoxy-N-methylbenzamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 15℃; for 3h;	98.66%

: 136-95-8
2-amino-benzthiazole

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 3-fluoro-12H-[1,3]benzothiazolo-[2,3-b]quinazolin-12-one

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; sonication;	93%
With copper Ullmann condensation; Sonication;

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 223444-50-6
N-t-Butyl-2-chloro-4-fluorobenzamide

Conditions

Conditions	Yield
	93%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 2-(3-formyl-2-oxoquinolin-1(2H)-yl)acetohydrazide

: 1-((5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl)methyl)-1,2-dihydro-2-oxoquinoline-3-carbaldehyde

Conditions

Conditions	Yield
With trichlorophosphate at 110 - 120℃; Reflux;	93%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 100-46-9
benzylamine

: 1002965-92-5
4-fluoro-N-benzylanthranilic acid

Conditions

Conditions	Yield
With copper(I) oxide; copper; potassium carbonate In various solvent(s) at 130℃; for 24h;	92%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 208186-84-9
(2-chloro-4-fluorophenyl)methanol

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 0 - 20℃; for 2h;	91.3%

: 123-75-1
pyrrolidine

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 4-fluoro-2-(1-pyrrolidinyl)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	89%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 108-59-8
malonic acid dimethyl ester

: (2-Carboxy-6-fluorophenyl)propanedioic acid dimethyl ester

Conditions

Conditions	Yield
With NaH; copper(I) bromide In water; mineral oil	89%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 100-46-9
benzylamine

: 886624-05-1
2-chloro-N-benzyl-4-fluorobenzamide

Conditions

Conditions	Yield
Stage #1: 2-choro-4-fluorobenzoic acid With triethylamine; isobutyl chloroformate In dichloromethane for 0.25h; Inert atmosphere; Schlenk technique; Stage #2: benzylamine In dichloromethane at 0℃;	89%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 639008-45-0
(E)-2-(tert-butyldiphenylsilyloxymethyl)-4-hydroxy-2-butenenitrile

: 2-chloro-4-fluoro-benzoic acid 4-(tert-butyl-diphenyl-silanyloxy)-3-cyano-but-2-enyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In toluene	88%

: 107-10-8
propylamine

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 4-fluoro-2-(propylamino)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; Ullmann condensation; ultrasonic irradiation;	87%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]aniline

: 2-chloro-N-{4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]phenyl}-4-fluorobenzamide

Conditions

Conditions	Yield
With 2-(7-azobenzotriazolyl)-N,N,N’,N’-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 16h;	86.4%

: 110-89-4
piperidine

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 865471-09-6
4-fluoro-2-(1-piperidinyl)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	86%

: 62171-59-9
1-(tert-butyl)-2-iodobenzene

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 3-fluoro-9,9-dimethyl-9,10-dihydrophenanthrene

Conditions

Conditions	Yield
With tetrabutyl-ammonium chloride; palladium diacetate; potassium carbonate; Tri(p-tolyl)phosphine In N,N-dimethyl-formamide at 140℃; for 12h; Schlenk technique; Inert atmosphere;	86%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 714968-44-2
C7H4ClFO5S

Conditions

Conditions	Yield
With chlorosulfonic acid at 150℃; for 6h;	85%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 572-09-8
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

: 1-O-(2-chloro-4-fluorobenzoyl)-2,3,4,6-tetra-O-acetyl-β-D-glucopyranose

Conditions

Conditions	Yield
With tetraethylammonium bromide; potassium carbonate In dichloromethane at 20℃; Molecular sieve;	85%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 536-90-3
m-Anisidine

: C14H12FNO3

Conditions

Conditions	Yield
With copper; potassium carbonate In pentan-1-ol at 20℃; for 5h; Reflux;	85%

: 2666-93-5
(S)-Leu-OMe

: 2252-51-9
2-choro-4-fluorobenzoic acid

: methyl (2-chloro-4-fluorobenzoyl)-L-leucinate

Conditions

Conditions	Yield
Stage #1: 2-choro-4-fluorobenzoic acid 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 0℃; Stage #2: (S)-Leu-OMe In N,N-dimethyl-formamide at 0 - 20℃;	84%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 22445-41-6
3,5-dimethylphenyl iodide

: 1344681-42-0
3-chloro-5-fluoro-3',5'-dimethyl-1,1'-biphenyl

Conditions

Conditions	Yield
With palladium diacetate; acetic acid; silver carbonate at 130℃; for 16h; regioselective reaction;	83%

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 292638-85-8
acrylic acid methyl ester

: methyl 2-(4-chloro-6-fluoro-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; oxygen; potassium hydrogencarbonate; acetic acid In 1,2-dichloro-ethane at 60℃; for 24h; Schlenk technique; Inert atmosphere;	83%

: 110-91-8
morpholine

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 4-fluoro-2-(4-morpholinyl)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	82%
With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 2h;	13%
With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 2h;

: 2252-51-9
2-choro-4-fluorobenzoic acid

: 189999-35-7
[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate

: 439-23-6
2-fluorotriphenylene

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 110℃; for 12h;	81%
With palladium diacetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 110℃; for 17h;	81%

2-Chloro-4-fluorobenzoic acid Specification

The Benzoicacid, 2-chloro-4-fluoro-, with the CAS registry number 2252-51-9, is also known as 2-Chloro-4-fluoro-benzoic acid. It belongs to the product categories of Fine Chemical & Intermediates; Blocks; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Fluorobenzene; Miscellaneous; Acids & Esters; Chlorine Compounds; Fluorine Compounds; C7; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 218-845-0. This chemical's molecular formula is C₇H₄ClFO₂ and molecular weight is 174.556863. Its IUPAC name is called 2-chloro-4-fluorobenzoic acid. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of Benzoicacid, 2-chloro-4-fluoro-: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): -0.72; (3)ACD/LogD (pH 7.4): -1.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 38.07 cm³; (13)Molar Volume: 118.1 cm³; (14)Surface Tension: 48.9 dyne/cm; (15)Density: 1.477 g/cm³; (16)Flash Point: 118.2 °C; (17)Enthalpy of Vaporization: 53.89 kJ/mol; (18)Boiling Point: 271.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00308 mmHg at 25°C.

Preparation of Benzoicacid, 2-chloro-4-fluoro-: this chemical can be prepared by 2-chloro-4-fluoro-toluene. This reaction will need reagents potassium dichromate and aqueous sulfuric acid.

Benzoicacid, 2-chloro-4-fluoro- can be prepared by 2-chloro-4-fluoro-toluene

Uses of Benzoicacid, 2-chloro-4-fluoro-: it can be used to produce 2-chloro-4-fluoro-5-nitrobenzoic acid. This reaction will need reagents fuming HNO₃ and conc. H₂SO₄. The yield is about 83%.

Benzoicacid, 2-chloro-4-fluoro- can be used to produce 2-chloro-4-fluoro-5-nitrobenzoic acid

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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)Cl)C(=O)O
(2)InChI: InChI=1S/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: GRPWQLDSGNZEQE-UHFFFAOYSA-N

Product Name

2-Chloro-4-fluorobenzoic acid

Synthetic route

2-Chloro-4-fluorobenzoic acid Specification

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