Cas no 7660-21-1 (2,4-Pentanedione, 1-chloro-)
2,4-Pentanedione, 1-chloro- structure
Product Name:2,4-Pentanedione, 1-chloro-
CAS No:7660-21-1
MF:C5H7ClO2
MW:134.560880899429
CID:1780829
PubChem ID:14496856
Update Time:2025-04-21
2,4-Pentanedione, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentanedione, 1-chloro-
- 7660-21-1
- DTXSID301311926
- 1-chloro-2,4-pentanedione
- Chloroacetylacetone
- AKOS006386108
- 3-chloro acetyl acetone
- alpha-chloroacetylacetone
- SCHEMBL183408
- 3-chloroacetyl acetone
-
- Inchi： 1S/C5H7ClO2/c1-4(7)2-5(8)3-6/h2-3H2,1H3
- InChI Key： ASYBEJAJVKOXLG-UHFFFAOYSA-N
- SMILES： ClCC(CC(C)=O)=O
Computed Properties
- Exact Mass: 134.01351
- Monoisotopic Mass: 134.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 109
- 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: 0.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Pentanedione, 1-chloro- Related Literature
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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