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| CAS No.: | 2252-51-9 |
|---|---|
| Name: | 2-Chloro-4-fluorobenzoic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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|
|
| Formula: | C7H4ClFO2 |
| Molecular Weight: | 174.559 |
| Synonyms: | 2-Chloro-4-fluorobenzoicacid; |
| EINECS: | 218-845-0 |
| Density: | 1.477 g/cm3 |
| Melting Point: | 181-183 °C(lit.) |
| Boiling Point: | 271.9 °C at 760 mmHg |
| Flash Point: | 118.2 °C |
| Appearance: | white powder or flakes |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 22-37/38-41-36/37/38 |
| Safety: | 26-36/37/39-37/39-36 |
| PSA: | 37.30000 |
| LogP: | 2.17730 |
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| 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% |
| 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 | 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 | Yield |
|---|---|
| With water; palladium diacetate; triethylamine; triphenylphosphine In 1,4-dioxane at 110℃; under 11251.1 Torr; for 2h; Flow reactor; | 89% |
| Conditions | Yield |
|---|---|
| With sodium hypobromide |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: AlCl3 / CS2 / Heating 2: aq. sodium hypobromite View Scheme |
- 157165-30-5
phenyl 2-chloro-4-fluorobenzoate
- 2252-51-9
2-choro-4-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| 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 | 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% |
| 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 |
| 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% |
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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.
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%.
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