Cas no 89300-31-2 (TRIFLURALIN-RING-UL-14C)
TRIFLURALIN-RING-UL-14C structure
Product Name:TRIFLURALIN-RING-UL-14C
CAS No:89300-31-2
MF:C13H16F3N3O4
MW:347.234301567078
CID:711562
Update Time:2023-03-28
TRIFLURALIN-RING-UL-14C Chemical and Physical Properties
Names and Identifiers
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- Benzenamine,2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-, labeled with carbon-14 (9CI)
- TRIFLURALIN-RING-UL-14C
- α,α,α-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine-ring-UL-14C
-
- Inchi： 1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3/i7+2,8+2,9+2,10+2,11+2,12+2
- InChI Key： ZSDSQXJSNMTJDA-MYBSUMCASA-N
- SMILES： [14C]1(N(CCC)CCC)[14C]([N+]([O-])=O)=[14CH][14C](C(F)(F)F)=[14CH][14C]=1[N+]([O-])=O
Computed Properties
- Exact Mass: 347.129
- Monoisotopic Mass: 347.129
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 392
- 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: 5.3
- Topological Polar Surface Area: 94.9A^2
Experimental Properties
- Flash Point: 4?°C
TRIFLURALIN-RING-UL-14C Security Information
- Hazardous Material transportation number：UN 2910 7
- WGK Germany：2
- Hazard Category Code： 11-38-48/20-63-65-67
- Safety Instruction： 36/37-46-62
-
Hazardous Material Identification：
- Storage Condition：2-8°C
TRIFLURALIN-RING-UL-14C Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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