Cas no 57420-08-3 ( )
structure
Product Name:
CAS No:57420-08-3
MF:C13H10N2
MW:194.231902599335
CID:947008
PubChem ID:316849
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-4-phenylpyridine-2-carbonitrile
- NSC245406
- 57420-08-3
- DS-004911
- NSC-245406
- 3-methyl-4-phenyl-pyridine-2-carbonitrile
- DTXSID50311794
-
-
- Inchi： 1S/C13H10N2/c1-10-12(7-8-15-13(10)9-14)11-5-3-2-4-6-11/h2-8H,1H3
- InChI Key： XXYONOLHGIOJPA-UHFFFAOYSA-N
- SMILES： N1C=CC(=C(C)C=1C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 194.0845
- Monoisotopic Mass: 194.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 247
- 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: 2.9
- Topological Polar Surface Area: 36.7?2
Experimental Properties
- Density: 1.14
- Boiling Point: 338.8°C at 760 mmHg
- Flash Point: 119.2°C
- Refractive Index: 1.607
- PSA: 36.68
Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
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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3. 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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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