Cas no 773873-95-3 (methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate)

Methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate is a fluorinated benzodioxole derivative characterized by its unique difluoro-substituted heterocyclic structure. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the difluoro moiety enhances its metabolic stability and lipophilicity, making it valuable for modifying bioactive molecules. The ester functional group at the 5-position allows for further derivatization, enabling the introduction of diverse substituents. Its rigid benzodioxole core contributes to structural specificity, which is advantageous in designing compounds with targeted activity. This product is typically employed in research settings for exploring structure-activity relationships in medicinal chemistry.
methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate structure
773873-95-3 structure
Product Name:methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate
CAS No:773873-95-3
MF:C9H6F2O4
MW:216.138350009918
MDL:MFCD06203771
CID:820009
Update Time:2025-06-07

methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
    • 2,2-difluoro-benzo[1,3]dioxole-5-carboxylic acid methyl ester
    • methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate
    • 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, methyl ester
    • C9H6F2O4
    • Methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate
    • MYEOSTSAKCEVAS-UHFFFAOYSA-N
    • 2112AC
    • CM10014
    • RL04965
    • PC19687
    • AF10
    • methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate
    • MDL: MFCD06203771
    • Inchi: 1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
    • InChI Key: MYEOSTSAKCEVAS-UHFFFAOYSA-N
    • SMILES: FC1(OC2C=CC(C(=O)OC)=CC=2O1)F

Computed Properties

  • Exact Mass: 216.02300
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 269
  • Topological Polar Surface Area: 44.8

Experimental Properties

  • PSA: 44.76000
  • LogP: 1.79470

methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate Production Method

methyl 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylate Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:773873-95-3)methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
Order Number:sfd5049
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
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Suzhou Senfeida Chemical Co., Ltd
(CAS:773873-95-3)methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
sfd5049
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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