Cas no 62721-35-1 (Butanoyl chloride, 2-chloro-2-methyl-)
62721-35-1 structure
Product Name:Butanoyl chloride, 2-chloro-2-methyl-
CAS No:62721-35-1
MF:C5H8Cl2O
MW:155.022419929504
CID:434162
PubChem ID:19905681
Update Time:2025-04-19
Butanoyl chloride, 2-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanoyl chloride, 2-chloro-2-methyl-
- 2-chloro-2-methylbutanoyl chloride
- 2-Chlor-2-methyl-butyrylchlorid
- 2-chloro-2-methyl-butanoyl chloride
- 2-chloro-2-methylbutyryl chloride
- Butanoyl chloride,2-chloro-2-methyl
- 62721-35-1
- DTXSID00601177
- SCHEMBL9186887
-
- Inchi： 1S/C5H8Cl2O/c1-3-5(2,7)4(6)8/h3H2,1-2H3
- InChI Key： DDUQKNCICUMAMK-UHFFFAOYSA-N
- SMILES： ClC(C(=O)Cl)(C)CC
Computed Properties
- Exact Mass: 153.99500
- Monoisotopic Mass: 153.9952203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 103
- 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: 2.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 2.15930
Butanoyl chloride, 2-chloro-2-methyl- Related Literature
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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