Cas no 879093-08-0 (2,5-Difluoro-4-methoxybenzaldehyde)

2,5-Difluoro-4-methoxybenzaldehyde structure
879093-08-0 structure
Product Name:2,5-Difluoro-4-methoxybenzaldehyde
CAS No:879093-08-0
MF:C8H6F2O2
MW:172.128849506378
MDL:MFCD06246882
CID:710174
PubChem ID:3856938
Update Time:2024-10-26

2,5-Difluoro-4-methoxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2,5-Difluoro-4-methoxybenzaldehyde
    • Benzaldehyde,2,5-difluoro-4-methoxy-
    • 2,5-difluoro-4-methoxy-benzaldehyde
    • Benzaldehyde, 2,5-difluoro-4-methoxy-
    • 2,5-fluoro-4-methoxybenzaldehyde
    • PubChem17005
    • DCGKDDVUUMOTDH-UHFFFAOYSA-N
    • 2,5-difluoro-4-methyoxybenzaldehyde
    • STL554505
    • CL8249
    • BBL100711
    • SBB088593
    • FCH835003
    • AM84032
    • AX8067603
    • 2,5-Difluoro-4-methoxybenzaldehyde (ACI)
    • SY029675
    • DB-010901
    • AKOS005255137
    • EN300-342460
    • 879093-08-0
    • CS-W017627
    • AS-46007
    • DTXCID80348275
    • SCHEMBL436131
    • MFCD06246882
    • Z1741970484
    • J-507330
    • DTXSID90397416
    • MDL： MFCD06246882
    • Inchi： 1S/C8H6F2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3
    • InChI Key： DCGKDDVUUMOTDH-UHFFFAOYSA-N
    • SMILES： O=CC1C(F)=CC(OC)=C(F)C=1

Computed Properties

  • Exact Mass: 172.03400
  • Monoisotopic Mass: 172.03358575g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: No data available
  • Density: 1.289
  • Melting Point: 97-100℃
  • Boiling Point: 232.8℃ at 760 mmHg
  • Flash Point: 92.0±20.8 °C
  • Refractive Index: 1.506
  • PSA: 26.30000
  • LogP: 1.78590

2,5-Difluoro-4-methoxybenzaldehyde Security Information

2,5-Difluoro-4-methoxybenzaldehyde Customs Data

  • HS CODE：2913000090
  • Customs Data：

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or 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

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

2,5-Difluoro-4-methoxybenzaldehyde Pricemore >>

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2,5-Difluoro-4-methoxybenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  3.5 h, 60 °C
Reference
Preparation of pyridazinone derivatives and phosphodiesterase (PDE) inhibitor containing them as active ingredients
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: Tetrabutylammonium hydrogen sulfate Solvents: Toluene ,  Water ;  1 h, rt
2.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  6 h, rt
2.2 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ;  0 °C; 8 h, rt
3.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  3.5 h, 60 °C
Reference
Preparation of pyridazinone derivatives and phosphodiesterase (PDE) inhibitor containing them as active ingredients
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  6 h, rt
1.2 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ;  0 °C; 8 h, rt
2.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  3.5 h, 60 °C
Reference
Preparation of pyridazinone derivatives and phosphodiesterase (PDE) inhibitor containing them as active ingredients
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Di-tert-butyl dicarbonate Catalysts: 4-(Dimethylamino)pyridine Solvents: tert-Butanol ;  19 h, rt
2.1 Reagents: Sodium hydroxide Catalysts: Tetrabutylammonium hydrogen sulfate Solvents: Toluene ,  Water ;  1 h, rt
3.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  6 h, rt
3.2 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ;  0 °C; 8 h, rt
4.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  3.5 h, 60 °C
Reference
Preparation of pyridazinone derivatives and phosphodiesterase (PDE) inhibitor containing them as active ingredients
, World Intellectual Property Organization, , ,

2,5-Difluoro-4-methoxybenzaldehyde Raw materials

2,5-Difluoro-4-methoxybenzaldehyde Preparation Products

2,5-Difluoro-4-methoxybenzaldehyde Related Literature

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