Cas no 842140-50-5 (Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo-)

Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo- structure
842140-50-5 structure
Product Name:Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo-
CAS No:842140-50-5
MF:C9H4F3NO
MW:199.129372596741
MDL:MFCD06201227
CID:706781
PubChem ID:2760706
Update Time:2025-04-19

Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo-
    • 3,4,5-Trifluorobenzoylacetonitrile
    • 3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile
    • FT-0604171
    • CS-0359919
    • MFCD06201227
    • 842140-50-5
    • AKOS012487877
    • DTXSID80375309
    • SY268876
    • DB-076009
    • MDL： MFCD06201227
    • Inchi： 1S/C9H4F3NO/c10-6-3-5(8(14)1-2-13)4-7(11)9(6)12/h3-4H,1H2
    • InChI Key： BRAUWLHJOAFANC-UHFFFAOYSA-N
    • SMILES： FC1C(=C(C=C(C(CC#N)=O)C=1)F)F

Computed Properties

  • Exact Mass: 199.02400
  • Monoisotopic Mass: 199.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 261
  • 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
  • Topological Polar Surface Area: 40.9A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.387
  • Boiling Point: 322.5°C at 760 mmHg
  • Flash Point: 148.9°C
  • Refractive Index: 1.48
  • PSA: 40.86000
  • LogP: 2.20028

Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo- Security Information

Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo- Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Benzenepropanenitrile, 3,4,5-trifluoro-b-oxo- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
022380-1g
3,4,5-Trifluorobenzoylacetonitrile
 842140-50-5 96%
1g
 ￡297.00 2022-03-01
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1430589-1g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 97%
1g
 ￥5335.00 2024-07-28
abcr
AB166981-1 g
3,4,5-Trifluorobenzoylacetonitrile, 96%; .
 842140-50-5 96%
1 g
 €1,621.80 2023-07-20
eNovation Chemicals LLC
Y1192932-1g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 95%
1g
 $625 2025-02-19
A2B Chem LLC
AC18502-1g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 97%
1g
 $1205.00 2024-04-19
A2B Chem LLC
AC18502-5g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 97%
5g
 $2831.00 2024-04-19
Crysdot LLC
CD12026307-5g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 97%
5g
 $624 2024-07-24
eNovation Chemicals LLC
Y1192932-1g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 95%
1g
 $625 2024-07-19
abcr
AB166981-1g
3,4,5-Trifluorobenzoylacetonitrile, 96%; .
 842140-50-5 96%
1g
 €1555.10 2025-04-16
eNovation Chemicals LLC
Y1192932-1g
3-Oxo-3-(3,4,5-trifluorophenyl)propanenitrile
 842140-50-5 95%
1g
 $625 2025-02-26

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