ChemicalBook > CAS DataBase List > 1-(2,6-Difluorophenyl)ethan-1-one

1-(2,6-Difluorophenyl)ethan-1-one

Product Name
1-(2,6-Difluorophenyl)ethan-1-one
CAS No.
13670-99-0
Chemical Name
1-(2,6-Difluorophenyl)ethan-1-one
Synonyms
TIMTEC-BB SBB006686;2,6-DIFLUOROACETOPHENONE;2',6'-difluoroacetophenone;2',6'-Difluoroacetophenone>2',6'-Difluoroacetophenone98%;Acetophenone, 2',6'-difluoro-;1-(2,6-Difluorophenyl)ethanone;2',6'-Difluoroacetophenone 98%;Benzamide,4-(1,4-dimethylethyl)-;1-(2,6-difluorophenyl)ethan-1-one
CBNumber
CB7119307
Molecular Formula
C8H6F2O
Formula Weight
156.13
MOL File
13670-99-0.mol
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1-(2,6-Difluorophenyl)ethan-1-one Property

Melting point:
52-55°C
Boiling point:
76-79 °C15 mm Hg(lit.)
Density 
1.197 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.48(lit.)
Flash point:
170 °F
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Ethyl Acetate (Slightly)
form 
Liquid
Specific Gravity
1.197
color 
Clear colorless to slightly yellow
Water Solubility 
Slightly soluble in water.
BRN 
2046068
InChI
InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey
VGIIILXIQLXVLC-UHFFFAOYSA-N
SMILES
C1C(F)=C(C(=O)C)C(F)=CC=1
CAS DataBase Reference
13670-99-0(CAS DataBase Reference)
NIST Chemistry Reference
Ethanone, 1-(2,6-difluorophenyl)-(13670-99-0)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29147000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
232890
Product name
2′,6′-Difluoroacetophenone
Purity
97%
Packaging
1g
Price
$27.6
Updated
2023/06/20
Sigma-Aldrich
Product number
232890
Product name
2′,6′-Difluoroacetophenone
Purity
97%
Packaging
5g
Price
$55.6
Updated
2023/06/20
TCI Chemical
Product number
D3559
Product name
2',6'-Difluoroacetophenone
Purity
>98.0%(GC)
Packaging
5g
Price
$65
Updated
2025/07/31
TCI Chemical
Product number
D3559
Product name
2',6'-Difluoroacetophenone
Purity
>98.0%(GC)
Packaging
25g
Price
$261
Updated
2025/07/31
TRC
Product number
D445543
Product name
2'',6''-Difluoroacetophenone
Packaging
250mg
Price
$55
Updated
2021/12/16
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1-(2,6-Difluorophenyl)ethan-1-one Chemical Properties,Usage,Production

Chemical Properties

Clear colourless to light yellow liquid

Uses

2?,6?-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

General Description

2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.

Synthesis

18063-02-0

105-53-3

13670-99-0

GENERAL STEPS: Magnesium chloride (1.65 g, 17.3 mmol) was added to a solution of diethyl malonate (1.24 g, 7.7 mmol) in ethyl acetate (20 mL) and the mixture was stirred at room temperature for 30 minutes. Subsequently, triethylamine (2.35 mL, 16.7 mmol) was added and stirring was continued for 30 minutes. The reaction mixture was cooled to 0 °C and a solution of ethyl acetate (5 mL) of 2,6-difluorobenzoyl chloride (1.0 g, 5.6 mmol) was slowly added dropwise over a period of 15 min, ensuring that the internal temperature did not exceed 5 °C. After dropwise addition, the reaction mixture was returned to room temperature and stirred for 3 hours. Upon completion of the reaction, the reaction was quenched with 1N hydrochloric acid (50 mL) and extracted with ethyl acetate (100 mL). The organic phase was separated, dried over anhydrous magnesium sulfate and filtered. The filtrate was concentrated under reduced pressure to give the intermediate (1.97 g) as a colorless oil. The oil was dissolved in acetonitrile (25 mL), water (2 mL) was added, and the solution was transferred to a pressure reactor and sealed. The mixture was heated to 150 °C and kept for 1 hour. At the end of the reaction, it was cooled to room temperature and the pressure was released. The yield of 2,6-difluoroacetophenone was determined to be 874 mg (100% yield) by HPLC weight analysis.

References

[1] Patent: WO2013/85686, 2013, A1. Location in patent: Page/Page column 22

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Raw materials

Preparation Products

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View Lastest Price from 1-(2,6-Difluorophenyl)ethan-1-one manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
1-(2,6-Difluorophenyl)ethan-1-one 13670-99-0
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
5tons
Release date
2024-12-03
Honest Joy Holdings Limited
Product
2',6'-Difluoroacetophenone 13670-99-0
Price
US $0.00/KG
Min. Order
1KG
Purity
98.2%
Supply Ability
100 tons
Release date
2022-01-26
Career Henan Chemical Co
Product
1-(2,6-Difluorophenyl)ethanone 13670-99-0
Price
US $1.00/g
Min. Order
1g
Purity
95-99%
Supply Ability
1ton
Release date
2020-01-09

13670-99-0, 1-(2,6-Difluorophenyl)ethan-1-oneRelated Search:


  • 1-(2,6-Difluorophenyl)ethanone
  • Acetophenone, 2',6'-difluoro-
  • TIMTEC-BB SBB006686
  • 2,6-DIFLUOROACETOPHENONE
  • 1-(2,6-difluorophenyl)ethan-1-one
  • 2',6'-Difluoroacetophenone 98%
  • 2',6'-Difluoroacetophenone98%
  • Ethanone, 1-(2,6-difluorophenyl)-
  • 1-(2,6-Difluorophenyl)ethan-1-one, 1-(2,6-Difluorophenyl)-1-oxoethane
  • 2',6'-Difluoroacetophenone&gt
  • Benzamide,4-(1,4-dimethylethyl)-
  • 2',6'-difluoroacetophenone
  • 2′,6′-Difluoroacetophenone, CAS 13670-99-0
  • 13670-99-0
  • F2C6H3COCH3
  • C8H6F2O
  • KETONE
  • Carbonyl Compounds
  • C7 to C8
  • Building Blocks
  • Ketones
  • Organic Building Blocks
  • Fluorine series
  • Indolines ,Indoles
  • C7 to C8
  • Carbonyl Compounds
  • Ketones
  • Aromatic Acetophenones & Derivatives (substituted)
  • ketone
  • Fluorobenzene
  • Miscellaneous
  • Adehydes, Acetals & Ketones
  • Fluorine Compounds