Cas no 550998-55-5 (Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate)

Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate structure
550998-55-5 structure
Product Name:Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate
CAS No:550998-55-5
MF:C11H7F3O2S
MW:260.232292413712
MDL:MFCD09027108
CID:943348
PubChem ID:18526203
Update Time:2025-04-19

Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 7-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
    • METHYL 7-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
    • methyl 7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
    • CS-0453551
    • Methyl 7-trifluoromethyl-1-benzothiophene-2-carboxylate
    • DTXSID90594802
    • G70802
    • MFCD09027108
    • SCHEMBL2895700
    • GA-0942
    • A870277
    • BP-20474
    • 550998-55-5
    • Methyl7-trifluoromethyl-1-benzothiophene-2-carboxylate
    • AKOS005072563
    • Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate
    • MDL: MFCD09027108
    • Inchi: 1S/C11H7F3O2S/c1-16-10(15)8-5-6-3-2-4-7(9(6)17-8)11(12,13)14/h2-5H,1H3
    • InChI Key: WONOABLALBFIRZ-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OC)=CC2C=CC=C(C(F)(F)F)C1=2

Computed Properties

  • Exact Mass: 260.01200
  • Monoisotopic Mass: 260.01188512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 306
  • 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: 4
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Melting Point: 71-74°
  • PSA: 54.54000
  • LogP: 3.70670

Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate Security Information

  • HazardClass:IRRITANT

Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylate Pricemore >>

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