Cas no 95418-90-9 (1-(3,4-dichlorothiophen-2-yl)propan-1-one)
95418-90-9 structure
Product Name:1-(3,4-dichlorothiophen-2-yl)propan-1-one
CAS No:95418-90-9
MF:C7H6Cl2OS
MW:209.092938899994
CID:1986201
PubChem ID:185400
Update Time:2025-04-21
1-(3,4-dichlorothiophen-2-yl)propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,4-dichlorothiophen-2-yl)propan-1-one
- 1-Propanone, 1-(dichlorothienyl)-
- 95418-90-9
- DTXSID80241833
-
- Inchi： 1S/C7H6Cl2OS/c1-2-5(10)7-6(9)4(8)3-11-7/h3H,2H2,1H3
- InChI Key： ONUCHMPZYDVQMB-UHFFFAOYSA-N
- SMILES： ClC1C(=CSC=1C(CC)=O)Cl
Computed Properties
- Exact Mass: 207.952
- Monoisotopic Mass: 207.952
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 163
- 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: 3.3
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- Density: 1.386
- Boiling Point: 286.5°C at 760 mmHg
- Flash Point: 127.1°C
- Refractive Index: 1.564
1-(3,4-dichlorothiophen-2-yl)propan-1-one Related Literature
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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