Cas no 898772-14-0 (butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate)

butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate structure
898772-14-0 structure
Product Name:butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate
CAS No:898772-14-0
MF:C12H16O4S
MW:256.318042755127
MDL:MFCD07699078
CID:872163
PubChem ID:24723446
Update Time:2025-04-19

butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate
    • Butyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate
    • DTXSID50641886
    • AKOS016018737
    • MFCD07699078
    • 898772-14-0
    • BUTYL5-(1,3-DIOXOLAN-2-YL)-2-THIOPHENECARBOXYLATE
    • MDL: MFCD07699078
    • Inchi: 1S/C12H16O4S/c1-2-3-6-14-11(13)9-4-5-10(17-9)12-15-7-8-16-12/h4-5,12H,2-3,6-8H2,1H3
    • InChI Key: JCHFEPFEKYVYNG-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OCCCC)=CC=C1C1OCCO1

Computed Properties

  • Exact Mass: 256.07700
  • Monoisotopic Mass: 256.07693016g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 253
  • 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: 2.5
  • Topological Polar Surface Area: 73?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 373.2±42.0 °C at 760 mmHg
  • Flash Point: 179.5±27.9 °C
  • PSA: 73.00000
  • LogP: 2.75040
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate Security Information

butyl 5-(1,3-dioxolan-2-yl)thiophene-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%

butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate Pricemore >>

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