Cas no 87327-69-3 (1-(2-chloro-6-fluorophenyl)ethan-1-one)

1-(2-chloro-6-fluorophenyl)ethan-1-one structure
87327-69-3 structure
Product Name:1-(2-chloro-6-fluorophenyl)ethan-1-one
CAS No:87327-69-3
MF:C8H6ClFO
MW:172.584044933319
MDL:MFCD01631390
CID:90961
PubChem ID:2773578
Update Time:2024-10-26

1-(2-chloro-6-fluorophenyl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Chloro-6-fluorophenyl)ethanone
    • 2’-Chloro-6’-fluoroacetophenone
    • 2'-Chloro-6'-fluoroacetophenone
    • 2-Chloro-6-fluoroacetophenone
    • 1-(2-chloro-6-fluorophenyl)ethan-1-one
    • Ethanone, 1-(2-chloro-6-fluorophenyl)-
    • PubChem7110
    • DNVGZKIRMBCQEQ-UHFFFAOYSA-N
    • 1-acetyl-6-chloro-2-fluorobenzene
    • 1-acetyl-2-chloro-6-fluorobenzene
    • SBB088715
    • AS05137
    • VZ21848
    • TRA0006595
    • CM11160
    • 1-(2-chloro-6-fluoro-pheny
    • 1-(2-Chloro-6-fluorophenyl)ethanone (ACI)
    • 2′-Chloro-6′-fluoroacetophenone
    • 2′-Fluoro-6′-chloroacetophenone
    • 87327-69-3
    • 2 inverted exclamation mark -Chloro-6 inverted exclamation mark -fluoroacetophenone
    • AKOS005256242
    • CL9265
    • DTXSID90378568
    • DB-020875
    • 1-(2-chloro-6-fluoro-phenyl)-ethanone
    • AC-28478
    • PS-8658
    • SCHEMBL716550
    • EN300-63852
    • SY025862
    • CS-0043763
    • MFCD01631390
    • MDL： MFCD01631390
    • Inchi： 1S/C8H6ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
    • InChI Key： DNVGZKIRMBCQEQ-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C(Cl)=CC=CC=1F
    • BRN： 5862530

Computed Properties

  • Exact Mass: 172.00900
  • Monoisotopic Mass: 172.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.258±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 191.8±20.0 oC (760 Torr),
  • Flash Point: 69.8±21.8 oC,
  • Refractive Index: 1.511
  • Solubility: Very slightly soluble (0.22 g/l) (25 o C),
  • Water Partition Coefficient: Sparingly soluble in water.
  • PSA: 17.07000
  • LogP: 2.68170

1-(2-chloro-6-fluorophenyl)ethan-1-one Security Information

  • Hazard Statement： Irritant
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R36/38

1-(2-chloro-6-fluorophenyl)ethan-1-one Customs Data

  • HS CODE：2914700090
  • Customs Data：

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-(2-chloro-6-fluorophenyl)ethan-1-one Pricemore >>

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1-(2-chloro-6-fluorophenyl)ethan-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dichloromethane
Reference
Regioselective functionalization of position 2 in 1,3-disubstituted benzenes
Bennetau, Bernard; et al, Tetrahedron, 1993, 49(47), 10843-54

Production Method 2

Reaction Conditions
1.1 Reagents: Silver nitrate ,  N-Fluorobenzenesulfonimide Catalysts: Carbamic acid, methyl ester ,  Palladium diacetate Solvents: Dichloromethane ;  24 h, 95 °C
Reference
Pd-Catalysed direct C(sp2)-H fluorination of aromatic ketones: concise access to anacetrapib
Wu, Qiuzi; et al, Chemical Communications (Cambridge, 2021, 57(37), 4544-4547

Production Method 3

Reaction Conditions
1.1 Reagents: Water Solvents: Water
Reference
2-(Ethylsulfonyl)pyridine 1-oxide derivatives
, European Patent Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Butyllithium ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Pentane
1.2 -
2.1 Solvents: Dichloromethane
Reference
Regioselective functionalization of position 2 in 1,3-disubstituted benzenes
Bennetau, Bernard; et al, Tetrahedron, 1993, 49(47), 10843-54

1-(2-chloro-6-fluorophenyl)ethan-1-one Raw materials

1-(2-chloro-6-fluorophenyl)ethan-1-one Preparation Products

1-(2-chloro-6-fluorophenyl)ethan-1-one Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:87327-69-3)1-(2-chloro-6-fluorophenyl)ethan-1-one
Order Number:A842086
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:55
Price ($):245.0

1-(2-chloro-6-fluorophenyl)ethan-1-one Related Literature

Related Categories

87327-69-3 (1-(2-chloro-6-fluorophenyl)ethan-1-one) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:87327-69-3)1-(2-chloro-6-fluorophenyl)ethan-1-one
A842086
Purity:99%
Quantity:100g
Price ($):245.0
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