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2-Chloro-4-fluorobenzoic acid

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Name

2-Chloro-4-fluorobenzoic acid

EINECS 218-845-0
CAS No. 2252-51-9 Density 1.477 g/cm3
PSA 37.30000 LogP 2.17730
Solubility N/A 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 N/A Appearance white powder or flakes
Safety 26-36/37/39-37/39-36 Risk Codes 22-37/38-41-36/37/38
Molecular Structure Molecular Structure of 2252-51-9 (2-Chloro-4-fluorobenzoic acid) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

2-Chloro-4-fluorobenzoicacid;

Article Data 11

2-Chloro-4-fluorobenzoic acid Synthetic route

2457-76-3

4-amino-2-chlorobenzoic acid

2252-51-9

2-choro-4-fluorobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hypobromide
625-98-9

3-chlorofluorobenzene

2252-51-9

2-choro-4-fluorobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
With sulfuric acid; acetic anhydride; urea In dichloromethane; water
2252-51-9

2-choro-4-fluorobenzoic acid

114776-15-7

2-chloro-4-fluoro-5-nitrobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
With chloro-trimethyl-silane at 20℃; for 24h;99%
With sulfuric acid at 60℃; for 17h;96%
With thionyl chloride95%
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
ConditionsYield
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%

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

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