Cas no 56348-75-5 (2,3,4,7,8-pentachlorophenoxathiin)
56348-75-5 structure
Product Name:2,3,4,7,8-pentachlorophenoxathiin
CAS No:56348-75-5
MF:C12H3Cl5OS
MW:372.481617212296
CID:1598475
PubChem ID:6453328
Update Time:2025-04-21
2,3,4,7,8-pentachlorophenoxathiin Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4,7,8-pentachlorophenoxathiin
- Phenoxathiin, 2,3,4,7,8-pentachloro-
- 2,3,4,7,8-pentachlorophenoxathiine
- 56348-75-5
- DTXSID00204889
-
- Inchi： 1S/C12H3Cl5OS/c13-4-1-7-8(2-5(4)14)19-9-3-6(15)10(16)11(17)12(9)18-7/h1-3H
- InChI Key： FRPXRKBIZCNTHU-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC2=C1OC1C=C(C(=CC=1S2)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 369.83499
- Monoisotopic Mass: 369.834724
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 346
- 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: 7.2
- Topological Polar Surface Area: 34.5
Experimental Properties
- Density: 1.721
- Boiling Point: 471.9°C at 760 mmHg
- Flash Point: 239.2°C
- Refractive Index: 1.697
- PSA: 9.23
2,3,4,7,8-pentachlorophenoxathiin Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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