Cas no 16473-20-4 (Benzonitrile, 3-(fluoromethyl)-)
16473-20-4 structure
Product Name:Benzonitrile, 3-(fluoromethyl)-
CAS No:16473-20-4
MF:C8H6FN
MW:135.138345241547
CID:1345536
Update Time:2024-08-17
Benzonitrile, 3-(fluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 3-(fluoromethyl)-
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- Inchi： 1S/C8H6FN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
- InChI Key： GAOFUOQBZNFOTR-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=CC(CF)=C1
Computed Properties
- Exact Mass: 135.048
- Monoisotopic Mass: 135.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 147
- 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: 1.9
- Topological Polar Surface Area: 23.8A^2
Experimental Properties
- Density: 1.11±0.1 g/cm3(Predicted)
- Boiling Point: 82 °C(Press: 2 Torr)
Benzonitrile, 3-(fluoromethyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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