Cas no 93343-10-3 (1,3-difluoro-5-methoxybenzene)

1,3-Difluoro-5-methoxybenzene is a fluorinated aromatic compound characterized by its methoxy and fluorine substituents at the 1, 3, and 5 positions of the benzene ring. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The fluorine atoms enhance metabolic stability and lipophilicity, while the methoxy group offers reactivity for further functionalization. Its high purity and well-defined structure ensure consistent performance in cross-coupling reactions, nucleophilic substitutions, and other transformations. The compound is typically supplied as a clear liquid or solid with defined melting/boiling points, suitable for precise applications in research and industrial processes.
1,3-difluoro-5-methoxybenzene structure
1,3-difluoro-5-methoxybenzene structure
Product Name:1,3-difluoro-5-methoxybenzene
CAS No:93343-10-3
MF:C7H6F2O
MW:144.118749141693
MDL:MFCD00042560
CID:61623
PubChem ID:24858241
Update Time:2025-06-09

1,3-difluoro-5-methoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-Difluoro-5-methoxybenzene
    • 3,5-Difluoro-1-methoxybenzene
    • 3,5-Difluoroanisole
    • 1,3-Difluoro-5-methoxybenzene,3,5-Difluorophenyl methyl ether
    • 3,5-difluoroanisol
    • Benzene,1,3-difluoro-5-methoxy
    • Benzene, 1,3-difluoro-5-methoxy-
    • OTGQPYSISUUHAF-UHFFFAOYSA-N
    • 3,5-difluoro anisole
    • 1,3-difluoro-5-methoxy-benzene
    • 3.5-difluoroanisole
    • PubChem1967
    • 3,5-difluoroanisole;
    • 3,5,-Difluoroanisole;
    • KSC490K1R
    • OTGQPYSISUUHAF-UHFFFAOYSA-
    • 1,3-difluoro-5-methoxybenzene;
    • WT216
    • 1,3-difluoro-5-methoxy-benzene;
    • 1,3-Difluoro-5-methoxybenzene (ACI)
    • EN300-91212
    • 3,5-Difluoroanisole, 97%
    • CL8597
    • CS-W016404
    • J-511323
    • AC-3790
    • DTXSID00369144
    • SY048644
    • D2463
    • InChI=1/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
    • MFCD00042560
    • A19494
    • NS00124180
    • 93343-10-3
    • DB-006301
    • PS-8977
    • AKOS009157093
    • SCHEMBL186502
    • 1,3-difluoro-5-methoxybenzene
    • MDL: MFCD00042560
    • Inchi: 1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
    • InChI Key: OTGQPYSISUUHAF-UHFFFAOYSA-N
    • SMILES: FC1C=C(OC)C=C(F)C=1
    • BRN: 4966844

Computed Properties

  • Exact Mass: 144.03900
  • Monoisotopic Mass: 144.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 97.8
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 9.2
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.234?g/mL?at 25?°C(lit.)
  • Boiling Point: 148°C(lit.)
  • Flash Point: Fahrenheit: 111.2 ° f
    Celsius: 44 ° c
  • Refractive Index: n20/D 1.466(lit.)
  • PSA: 9.23000
  • LogP: 1.97340
  • Solubility: Insoluble in water

1,3-difluoro-5-methoxybenzene Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226,H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S16-S26-S36/37/39-S7/9
  • Hazardous Material Identification: Xi
  • HazardClass:3
  • PackingGroup:III
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10; R36/37/38
  • Storage Condition:Flammable area

1,3-difluoro-5-methoxybenzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1,3-difluoro-5-methoxybenzene Pricemore >>

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1,3-difluoro-5-methoxybenzene Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol ;  rt → 75 °C; 65 - 75 °C
Reference
Method for preparing 4-iodophenyl ether derivative
, China, , ,

Production Method 2

Reaction Conditions
1.1 Catalysts: 1,3-Bis(diphenylphosphino)propane ,  Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-hydroxydirhodium Solvents: Toluene ;  5 min, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  12 h, 110 °C
Reference
Rh(I)-Catalyzed Decarboxylative Transformations of Arenecarboxylic Acids: Ligand- and Reagent-Controlled Selectivity toward Hydrodecarboxylation or Heck-Mizoroki Products
Sun, Zhong-Ming; Zhang, Jing; Zhao, Pinjing, Organic Letters, 2010, 12(5), 992-995

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  18 h, 60 °C
Reference
Preparation of triazolopyridine compounds useful in the treatment of diseases or disorders mediated by EED and/or PRC2
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid
1.2 Reagents: Tetrafluoroboric acid ;  heated
Reference
Synthesis of 3,5-difluoro-4-iodoanisole
Huang, Suoyi; Lu, Haifeng; Lan, Dan; Lu, Changqing; Lian, Mengnan; et al, Huaxue Yanjiu Yu Yingyong, 2008, 20(5), 636-637

Production Method 5

Reaction Conditions
Reference
Preparation of alkoxyfluorobenzenes
, Japan, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  5 h, 40 °C
Reference
A convenient synthesis of 4-alkoxy- and 4-hydroxy-2,6-difluoroanilines
Alonso-Alija, Cristina; Michels, Martin; Peilstocker, Karen; Schirok, Hartmut, Tetrahedron Letters, 2004, 45(1), 95-98

Production Method 7

Reaction Conditions
1.1 Solvents: Toluene ,  Tetrahydrofuran ;  10 h, 60 - 80 °C
Reference
Process for preparation of 3,5-difluoroanisole from 1,3,5-trifluorobenzene and sodium methoxide
, China, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  18 h, 60 °C
Reference
Imidazopyrimidine compounds useful for the treatment of cancer and their preparation
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Copper ,  Sulfuric acid
1.2 -
Reference
An unexpected route to fluorinated anisoles
Takechi, Naoto; Fukai, Yasushi; Oka, Kazuyoshi; Huisgen, Rolf, Chemistry Letters, 1996, (1), 23-4

Production Method 10

Reaction Conditions
1.1 Reagents: Calcium hydroxide ;  2.3 h, 80 °C
Reference
A Mild Heteroatom (O-, N-, and S-) Methylation Protocol Using Trimethyl Phosphate (TMP)-Ca(OH)2 Combination
Tang, Yu; Yu, Biao, Synthesis, 2022, 54(10), 2373-2390

Production Method 11

Reaction Conditions
1.1 Reagents: Ammonia
Reference
Reaction of aromatic compounds with nucleophilic reagents in a liquid ammonia medium. IV. Nucleophilic and protophilic activity of methylate and hydroxyl anions in reactions with polyfluoroaromatic compounds
Shtark, A. A.; Chuikova, T. V.; Shteingarts, V. D., Zhurnal Organicheskoi Khimii, 1984, 20(5), 1055-63

Production Method 12

Reaction Conditions
Reference
Preparation of fluorophenols from polyfluorobenzenes and sodium methoxide via fluoroanisoles
, Japan, , ,

1,3-difluoro-5-methoxybenzene Raw materials

1,3-difluoro-5-methoxybenzene Preparation Products

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