Cas no 52920-18-0 (Butanoyl chloride, 2-chloro-3,3-dimethyl-)
52920-18-0 structure
Product Name:Butanoyl chloride, 2-chloro-3,3-dimethyl-
CAS No:52920-18-0
MF:C6H10Cl2O
MW:169.049000263214
CID:358472
PubChem ID:12239723
Update Time:2025-04-19
Butanoyl chloride, 2-chloro-3,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanoyl chloride, 2-chloro-3,3-dimethyl-
- 2-chloro-3,3-dimethylbutanoyl chloride
- alpha-chloro-tert-butylacetyl chloride
- YXYHDYAMHIWFKK-UHFFFAOYSA-N
- SCHEMBL6646247
- 52920-18-0
- DTXSID30481929
-
- Inchi： 1S/C6H10Cl2O/c1-6(2,3)4(7)5(8)9/h4H,1-3H3
- InChI Key： YXYHDYAMHIWFKK-UHFFFAOYSA-N
- SMILES： ClC(C(=O)Cl)C(C)(C)C
Computed Properties
- Exact Mass: 168.011
- Monoisotopic Mass: 168.0108703g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Butanoyl chloride, 2-chloro-3,3-dimethyl- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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