Cas no 104294-16-8 (Benzene,1,3,5-trichloro-2-(2,4-dichlorophenoxy)-)
104294-16-8 structure
Product Name:Benzene,1,3,5-trichloro-2-(2,4-dichlorophenoxy)-
CAS No:104294-16-8
MF:C12H5Cl5O
MW:342.432498693466
CID:163969
PubChem ID:92428
Update Time:2025-04-19
Benzene,1,3,5-trichloro-2-(2,4-dichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3,5-trichloro-2-(2,4-dichlorophenoxy)-
- 2,2',4,4',6-pentachlorodiphenyl ether
- 1,3,5-trichloro-2-(2,4-dichlorophenoxy)benzene
- CDE1
- Q27274456
- B78X4535FJ
- PCDE 100
- Benzene, 1,3,5-trichloro-2-(2,4-dichlorophenoxy)-
- DTXSID00146376
- UNII-B78X4535FJ
- InChI=1/C12H5Cl5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5
- 104294-16-8
-
- Inchi： 1S/C12H5Cl5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
- InChI Key： FONWDRSQXQZNBN-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1OC1C=CC(=CC=1Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 339.87855
- Monoisotopic Mass: 339.878
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 9.2?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.6
Experimental Properties
- Density: 1.558
- Boiling Point: 350°Cat760mmHg
- Flash Point: 121.9°C
- Refractive Index: 1.619
- PSA: 9.23
Benzene,1,3,5-trichloro-2-(2,4-dichlorophenoxy)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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