4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate
- Product Name
- 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate
- CAS No.
- 1184936-21-7
- Chemical Name
- 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate
- Synonyms
- 1-(2-Amino-5-chlorophenyl);-2,2,2-trifluoroethanone hydrochloride hydrate
- CBNumber
- CB11164173
- Molecular Formula
- C8H8Cl2F3NO2
- Formula Weight
- 278.0558296
- MOL File
- 1184936-21-7.mol
4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate Property
- InChI
- InChI=1S/C8H5ClF3NO.ClH.H2O/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;;/h1-3H,13H2;1H;1H2
- InChIKey
- FUYMYLYDBVWEHG-UHFFFAOYSA-N
- SMILES
- NC1=CC=C(Cl)C=C1C(C(F)(F)F)=O.[H]Cl.[H]O[H]
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- A617695
- Product name
- 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanonehydrochloridehydrate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- A617695
- Product name
- 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanonehydrochloridehydrate
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 4630-7-03
- Product name
- 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one hydrate hydrochloride
- Purity
- 98%
- Packaging
- 5G
- Price
- $245
- Updated
- 2021/12/16
- Product number
- 4630-7-03
- Product name
- 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one hydrate hydrochloride
- Purity
- 98%
- Packaging
- 25g
- Price
- $495
- Updated
- 2021/12/16
- Product number
- 20R0563
- Product name
- 1-(2-Amino-5-chloro-phenyl)-2,2,2-trifluoro-ethanonehydrochloridehydrate
- Purity
- 98%
- Packaging
- 500g
- Price
- $450
- Updated
- 2021/12/16
4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate Chemical Properties,Usage,Production
Synthesis
383-63-1
65854-91-3
1184936-21-7
Example 2: Preparation of 4-chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate 1. N-(4-chlorophenyl)-2,2-dimethylpropionamide (36.7 kg, 173 mol) was added to a solution of TMEDA (20.2 kg, 174 mol) in anhydrous tert-butyl methyl ether (271.5 kg), and cooled to -20°C. 2. a hexane solution (101.9 kg, 393 mol) of 2.7 N n-butyllithium was slowly added to the cooled slurry, keeping the reaction temperature below 5°C. 3. aging the reaction mixture at 0 to 5 °C for 2 hours, followed by cooling to below -15 °C. 4. ethyl trifluoroacetate (34.5 kg, 243 mol) was added rapidly to the reaction mixture. 5. After 30 minutes of reaction, the resulting solution was quenched by rapid pouring into 3 N HCl (196 L, 589 mol), controlling the temperature below 25°C. 6. The aqueous phase was separated and discarded, and the organic phase was concentrated by distillation to about 200 L solvent volume. 7. Acetic acid (352 kg) was added while about 325 kg of solvent was removed by distillation under vacuum at 100 mm Hg. 8. After cooling the solution to 30 °C, 12 N HCl (43.4 kg, 434 mol) was added and the mixture was heated to 65 to 70 °C and held for 4 hours. 9. The reaction slurry was cooled to 5 °C, the product was collected by filtration and washed with ethyl acetate (50.5 kg). 10. Vacuum drying gave 42.1 kg (87% yield) of 4-chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate as a white crystalline solid. Product characterization: melting point 159-162 °C (decomposition); 1H NMR (300 MHz, DMSO-d6) δ 7.65-7.50 (m, 2H), 7.10 (d, J = 8 Hz, 1H), 7.00 (br s, 3H); 19F NMR (282 MHz, DMSO-d6) δ -69.5.
References
[1] Patent: US5925789, 1999, A
[2] Patent: US5932726, 1999, A
[3] Patent: US6028237, 2000, A
[4] Patent: US6673372, 2004, B1
4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate manufacturers
- Product
- 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate 1184936-21-7
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 1000KGS
- Release date
- 2020-01-11