Cas no 10561-99-6 (3-Buten-2-one, 1,1,4,4-tetrachloro-)
10561-99-6 structure
Product Name:3-Buten-2-one, 1,1,4,4-tetrachloro-
CAS No:10561-99-6
MF:C4H2Cl4O
MW:207.870077610016
CID:1157712
PubChem ID:12813409
Update Time:2025-04-20
3-Buten-2-one, 1,1,4,4-tetrachloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 1,1,4,4-tetrachloro-
- DTXSID801023407
- dichloromethyl 2,2-di-chlorovinyl ketone
- 10561-99-6
- 1,1,4,4-tetrachloro-3-buten-2-one
-
- Inchi： 1S/C4H2Cl4O/c5-3(6)1-2(9)4(7)8/h1,4H
- InChI Key： JBSFRNIRMXAKHP-UHFFFAOYSA-N
- SMILES： ClC(C(/C=C(\Cl)/Cl)=O)Cl
Computed Properties
- Exact Mass: 290.93897
- Monoisotopic Mass: 205.885975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 136
- 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
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 29.54
3-Buten-2-one, 1,1,4,4-tetrachloro- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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