Cas no 7497-47-4 (Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl-)
![Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl- structure](https://ossimg.kuujia.com/scimg/7500/7497-47-4x500.png)
7497-47-4 structure
Product Name:Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl-
CAS No:7497-47-4
MF:C19H18N2
MW:274.359624385834
CID:581218
PubChem ID:346848
Update Time:2025-04-19
Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl-
- 2-phenyl-3-(4-propan-2-ylphenyl)butanedinitrile
- 2-(4-isopropyl-phenyl)-3-phenyl-succinonitrile
- AC1L85XA
- CTK2I1023
- NSC405179
- 2-Phenyl-3-[4-(propan-2-yl)phenyl]butanedinitrile
- 7497-47-4
- DTXSID00323923
- NSC-405179
-
- Inchi： 1S/C19H18N2/c1-14(2)15-8-10-17(11-9-15)19(13-21)18(12-20)16-6-4-3-5-7-16/h3-11,14,18-19H,1-2H3
- InChI Key： BVDWOWVVIHXAFT-UHFFFAOYSA-N
- SMILES： N#CC(C1C=CC(=CC=1)C(C)C)C(C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 274.14714
- Monoisotopic Mass: 274.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 407
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- Density: 1.078
- Boiling Point: 430°Cat760mmHg
- Flash Point: 197.1°C
- Refractive Index: 1.571
- PSA: 47.58
- LogP: 4.72456
Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl- 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
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
7497-47-4 (Butanedinitrile, 2-[4-(1-methylethyl)phenyl]-3-phenyl-) Related Products
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