Cas no 31909-58-7 (3-(2-furyl)-3-oxo-propanenitrile)

3-(2-furyl)-3-oxo-propanenitrile structure
31909-58-7 structure
Product Name:3-(2-furyl)-3-oxo-propanenitrile
CAS No:31909-58-7
MF:C7H5NO2
MW:135.120101690292
MDL:MFCD00052210
CID:88939
PubChem ID:141671
Update Time:2024-10-30

3-(2-furyl)-3-oxo-propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Furoylacetonitrile
    • β-oxo-2-Furanpropanenitrile
    • 3-(Fur-2-yl)-3-oxopropanenitrile
    • 3-(furan-2-yl)-3-oxopropanenitrile
    • (3-furan-2-yl)-3-oxo-propionitrile
    • 3-(2-furyl)-3-oxopropanenitrile
    • AM10033
    • 2-(2-furanoyl)acetonitrile
    • HMS1750E20
    • 2-furoyl acetonitrile
    • EN300-14058
    • 2-Furoylacetonitrile, 97%
    • 3-Furan-2-yl-3-oxo-propionitrile
    • 2-furanoylacetonitrile
    • SB61243
    • AKOS000206984
    • RZNSHBXVTAHWPP-UHFFFAOYSA-
    • 31909-58-7
    • InChI=1/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
    • CS-W013361
    • FT-0604166
    • Z96092816
    • STR07414
    • W11912
    • SCHEMBL135923
    • 3-furan-2-yl-3-oxopropanenitrile
    • beta-oxo-2-furanepropanenitrile
    • 2-cyanoacetylfuran
    • beta-oxo-2-Furanpropanenitrile
    • A5750
    • J-018568
    • F2135-1131
    • MFCD00052210
    • DTXSID90185759
    • 3-(2-furyl)-3-oxo-propanenitrile
    • MDL: MFCD00052210
    • Inchi: 1S/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
    • InChI Key: RZNSHBXVTAHWPP-UHFFFAOYSA-N
    • SMILES: O1C=CC=C1C(CC#N)=O
    • BRN: 111902

Computed Properties

  • Exact Mass: 135.03200
  • Monoisotopic Mass: 135.032028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 54

Experimental Properties

  • Color/Form: White to bright brown powder
  • Density: 1.3124 (rough estimate)
  • Melting Point: 81-85?°C (lit.)
  • Boiling Point: 248.79°C (rough estimate)
  • Flash Point: 133.6°C
  • Refractive Index: 1.5800 (estimate)
  • PSA: 54.00000
  • LogP: 1.37598
  • Solubility: Not determined

3-(2-furyl)-3-oxo-propanenitrile Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H312-H315-H319-H332-H335
  • Warning Statement: P261-P280-P305+P351+P338
  • Hazardous Material transportation number:3276
  • WGK Germany:3
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xn
  • HazardClass:6.1
  • PackingGroup:III
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • Packing Group:III
  • Hazard Level:6.1

3-(2-furyl)-3-oxo-propanenitrile Customs Data

  • HS CODE:2932190090
  • Customs Data:

    China Customs Code:

    2932190090

    Overview:

    2932190090 Other structurally non fused furan ring compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

3-(2-furyl)-3-oxo-propanenitrile Pricemore >>

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3-(2-furyl)-3-oxo-propanenitrile Production Method

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