Cas no 89284-87-7 (1-(2,4,5-trichlorothiophen-3-yl)ethanone)
89284-87-7 structure
Product Name:1-(2,4,5-trichlorothiophen-3-yl)ethanone
CAS No:89284-87-7
MF:C6H3Cl3OS
MW:229.511417627335
CID:1940161
PubChem ID:181966
Update Time:2025-04-21
1-(2,4,5-trichlorothiophen-3-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,4,5-trichlorothiophen-3-yl)ethanone
- Ethanone, 1-(2,4,5-trichloro3-thienyl)-
- AKOS000280494
- 89284-87-7
- DTXSID70237604
- Ketone, methyl 2,4,5-trichloro-3-thienyl
-
- Inchi： 1S/C6H3Cl3OS/c1-2(10)3-4(7)6(9)11-5(3)8/h1H3
- InChI Key： IAIAHQFUCALRGH-UHFFFAOYSA-N
- SMILES： ClC1=C(SC(=C1C(C)=O)Cl)Cl
Computed Properties
- Exact Mass: 227.897
- Monoisotopic Mass: 227.897
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 3.8
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- Density: 1.568
- Boiling Point: 243.6°C at 760 mmHg
- Flash Point: 101.1°C
- Refractive Index: 1.589
1-(2,4,5-trichlorothiophen-3-yl)ethanone Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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