Cas no 30498-35-2 (Benzene,dichloro(trifluoromethyl)-)
30498-35-2 structure
Product Name:Benzene,dichloro(trifluoromethyl)-
CAS No:30498-35-2
MF:C35H15Cl10F15
MW:1074.99965310097
CID:306924
PubChem ID:35358
Update Time:2025-04-19
Benzene,dichloro(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,dichloro(trifluoromethyl)-
- 1,2-dichloro-3-(trifluoromethyl)benzene
- 30498-35-2
- Benzene, dichloro(trifluoromethyl)-
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- Inchi: 1S/5C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5;8-4-1-2-6(9)5(3-4)7(10,11)12;8-4-1-2-5(6(9)3-4)7(10,11)12;8-5-2-1-4(3-6(5)9)7(10,11)12;8-4-2-1-3-5(9)6(4)7(10,11)12/h5*1-3H
- InChI Key: UEJHAEUIXSGCFG-UHFFFAOYSA-N
- SMILES: ClC1C=CC=C(C=1C(F)(F)F)Cl.ClC1C=CC(=CC=1C(F)(F)F)Cl.ClC1C=C(C=CC=1C(F)(F)F)Cl.ClC1C=C(C=C(C(F)(F)F)C=1)Cl.ClC1=C(C=CC(C(F)(F)F)=C1)Cl
Computed Properties
- Exact Mass: 1069.78245
- Monoisotopic Mass: 1069.781951
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 60
- Rotatable Bond Count: 0
- Complexity: 766
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
Experimental Properties
- Boiling Point: 163.2°C at 760 mmHg
- Flash Point: 61.3°C
- PSA: 0
Benzene,dichloro(trifluoromethyl)- Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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