Cas no 85153-47-5 (sec-butyl 2-chloroacetoacetate)
85153-47-5 structure
Product Name:sec-butyl 2-chloroacetoacetate
CAS No:85153-47-5
MF:C8H13ClO3
MW:192.640022039413
CID:887401
PubChem ID:3020436
Update Time:2025-04-19
sec-butyl 2-chloroacetoacetate Chemical and Physical Properties
Names and Identifiers
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- sec-butyl 2-chloroacetoacetate
- butan-2-yl 2-chloro-3-oxobutanoate
- EINECS 285-828-2
- 85153-47-5
- DTXSID801005582
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- Inchi： 1S/C8H13ClO3/c1-4-5(2)12-8(11)7(9)6(3)10/h5,7H,4H2,1-3H3
- InChI Key： YOHRCJWDTDCXOK-UHFFFAOYSA-N
- SMILES： ClC(C(C)=O)C(=O)OC(C)CC
Computed Properties
- Exact Mass: 192.055
- Monoisotopic Mass: 192.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.111
- Boiling Point: 224.4°C at 760 mmHg
- Flash Point: 83.2°C
- Refractive Index: 1.44
sec-butyl 2-chloroacetoacetate Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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