Cas no 532427-37-5 (1,1'-Biphenyl,3-methyl-, radical ion(1+) (9CI))
532427-37-5 structure
Product Name:1,1'-Biphenyl,3-methyl-, radical ion(1+) (9CI)
1,1'-Biphenyl,3-methyl-, radical ion(1+) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,3-methyl-, radical ion(1+) (9CI)
- 3-Methylbiphenyl
- 3-Methyl-biphenyl
- 1,1'-Biphenyl,3-methyl-,radical ion(1+)(9ci)
- 3-Phenyltoluene
- Biphenyl, 3-methyl-
- 643-93-6
- UNII-KFP6EO4J6P
- 3-METHYL-1,1'-BIPHENYL
- KFP6EO4J6P
- Q27282235
- DTXSID4060941
- EINECS 211-404-3
- InChI=1/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H
- 3-Phenyltoluene, 95%
- (3-Methylphenyl)benzene
- 1-methyl-3-phenyl-benzene
- FT-0616142
- 3-Methyl-1,1'biphenyl
- A834740
- MFCD00008533
- 1,1'-Biphenyl, 3-methyl-
- NS00022617
- 532427-37-5
- 3-Methyldiphenyl
- CS-W017792
- AKOS015842426
- AS-13071
- AM20040948
- A829470
- 1-methyl-3-phenylbenzene
- M0296
- m-Phenyltoluene
- W-104845
- m-Methylbiphenyl
-
- Inchi: 1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key: NPDIDUXTRAITDE-UHFFFAOYSA-N
- SMILES: C1(C=CC=C(C)C=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 168.094
- Monoisotopic Mass: 168.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 144
- 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: 0A^2
- XLogP3: 3.9
Experimental Properties
- Color/Form: Colorless to yellow liquid
- Density: 1.018
- Melting Point: 4.5 °C
- Boiling Point: -15°C
- Flash Point: >110°C
- Refractive Index: 1.601-1.605
1,1'-Biphenyl,3-methyl-, radical ion(1+) (9CI) Security Information
- Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
1,1'-Biphenyl,3-methyl-, radical ion(1+) (9CI) Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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