| Identification | More | [Name]
2-Chloro-2',4'-difluoroacetophenone | [CAS]
51336-94-8 | [Synonyms]
2',4'-DIFLUORO-2-CHLOROACETOPHENONE
2',4'-DIFLUORO-ALFA-CHLOROACETOPHENONE
2',4'-DIFLUORO-ALPHA-CHLOROACETOPHENONE
2,4-DIFLUOROPHENACYL CHLORIDE
2-CHLORO-1-(2,4-DIFLUOROPHENYL)ETHANONE
2'-CHLORO-2,4-DIFLUOROACETOPHENONE
2-CHLORO-2',4'-DIFLUOROACETOPHENONE
ALPHA-CHLORO-2,4-DIFLUOROACETOPHENONE
TIMTEC-BB SBB006665
2,4-difluoro-α-chloroacetophenone
2'-Chloro 2,4-fluoro acetophenone
2-Chloro-2,4-Difluoroacetophenone/2,4-Difluoro-2-Chloro-Acetophenone
2',4'-Diflouro-2-Chloroacetophenone
a-Chloroacetyl-2,4-Difluorobenzene
α-Chloro-2,4-Difluoroacetophenone
2,4-Difluorophenacyl chloride 98%
2,4-Difluorophenacylchloride98%
2,4-difluorophenacyl chloride ,2-chloro-1-(2,4-difluorophenyl)ethanone
Chloromethyl(2,4-difluorophenyl) ketone | [EINECS(EC#)]
620-343-5 | [Molecular Formula]
C8H5ClF2O | [MDL Number]
MFCD00013252 | [Molecular Weight]
190.57 | [MOL File]
51336-94-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder | [Melting point ]
44-48 °C(lit.)
| [Boiling point ]
240.9±25.0 °C(Predicted) | [density ]
1.3544 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Chloroform (Slightly) | [form ]
Solid | [color ]
Light Brown Low-Melting | [Sensitive ]
Lachrymatory | [BRN ]
1943217 | [InChI]
InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 | [InChIKey]
UENGBOCGGKLVJJ-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=C(F)C=C1F)CCl | [CAS DataBase Reference]
51336-94-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS05,GHS06,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301-H314-H317-H330-H410 | [Precautionary statements ]
P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns.
R37:Irritating to the respiratory system. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [F ]
10-21 | [Hazard Note ]
Corrosive/Irritant/Lachrymatory | [REACH Registrations]
Inactive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29147000 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 1 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1A |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder | [Uses]
A α-haloacetophenone derivatives tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B. | [Synthesis]
In a 250 mL four-necked flask equipped with a thermometer, a constant pressure dropping funnel, and a reflux condenser (with a drying tube), 1,3-difluorobenzene (0.1 mol, 14.7 g) and anhydrous aluminum trichloride (0.17 mol, 22.7 g) were added. The mixture was stirred at 30-35°C for 0.5 hours. Subsequently, chloroacetyl chloride (0.12 mol, 13.56 g) was slowly added dropwise to maintain the reaction temperature. After the dropwise addition was completed, the temperature was raised to 50-55 °C and the reaction was continued with stirring until no hydrogen chloride gas escaped, a reaction time of about 5 hours. The reaction mixture was cooled to below 5°C in an ice-water bath, and acid hydrolysis was carried out by slowly dropping 3 mol/L hydrochloric acid (20 mL), controlling the rate of dropwise acceleration to keep the temperature of the mixture low. The acid-hydrolyzed mixture was poured into a beaker and distilled water was added to precipitate the solid. After filtration and drying under reduced pressure, 16.9 g of light yellow powdery solid was obtained in 89.3% yield. Finally, the light yellow powdery solid was recrystallized with hexane to give bright yellow crystalline 2'-chloro-2,4-difluoroacetophenone. | [References]
[1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 2, p. 372 - 381
[2] Tetrahedron Asymmetry, 2010, vol. 21, # 13-14, p. 1649 - 1665
[3] Patent: CN106187924, 2016, A. Location in patent: Paragraph 0026; 0027
[4] Patent: CN102796080, 2016, B. Location in patent: Paragraph 0040-0042
[5] Journal of Organic Chemistry, 1995, vol. 60, # 10, p. 3000 - 3012 |
| Questions And Answer | Back Directory | [Description]
2-Chloro-2′,4′-difluoroacetophenone was used in the synthesis of allyl alcohol1. It can also be tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B2.
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