Cas no 267880-84-2 (Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)-)
267880-84-2 structure
Product Name:Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)-
CAS No:267880-84-2
MF:C11H8F3NO
MW:227.18253326416
CID:247886
PubChem ID:53425841
Update Time:2025-04-19
Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)-
- 3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile
- 3-Methyl-5-(trifluoroMethyl)benzoylacetonitrile
- 3-OXO-3-(3-METHYL-5-TRIFLUOROMETHYLPHENYL)-PROPIONITRILE
- Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)
- DTXSID30699002
- 3-(3-methyl-5-(trifluoromethyl)phenyl)-3-oxopropanenitrile
- 267880-84-2
-
- Inchi： 1S/C11H8F3NO/c1-7-4-8(10(16)2-3-15)6-9(5-7)11(12,13)14/h4-6H,2H2,1H3
- InChI Key： PSXSSDAUEQSLCR-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C)C=C(C(CC#N)=O)C=1)(F)F
Computed Properties
- Exact Mass: 227.05600
- Monoisotopic Mass: 227.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 315
- 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: 2.7
Experimental Properties
- PSA: 40.86000
- LogP: 3.11018
Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)- Security Information
- Hazardous Material transportation number：UN 3276
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26; S36/37/39
- Risk Phrases：R20/21/22; R36/37/38
Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)- Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
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-methyl-b-oxo-5-(trifluoromethyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
267880-84-2 (Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)-) Related Products
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