Cas no 4877-84-3 (Butanoic acid,2,4-dichloro-3-oxo-, methyl ester)
4877-84-3 structure
Product Name:Butanoic acid,2,4-dichloro-3-oxo-, methyl ester
CAS No:4877-84-3
MF:C5H6Cl2O3
MW:185.005340099335
CID:331763
PubChem ID:107345
Update Time:2025-04-19
Butanoic acid,2,4-dichloro-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2,4-dichloro-3-oxo-, methyl ester
- methyl 2,4-dichloro-3-oxobutanoate
- methyl 2,4-dichloro-3-oxobutyrate
- SCHEMBL19995249
- EINECS 225-488-4
- NS00045229
- 4877-84-3
- DTXSID20964115
-
- Inchi： 1S/C5H6Cl2O3/c1-10-5(9)4(7)3(8)2-6/h4H,2H2,1H3
- InChI Key： UTBKSYHAYRTIIN-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OC)C(CCl)=O
Computed Properties
- Exact Mass: 183.969399
- Monoisotopic Mass: 183.969399
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 146
- 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
- Topological Polar Surface Area: 43.4
- XLogP3: 1.3
Experimental Properties
- Density: 1.372
- Boiling Point: 215.6°Cat760mmHg
- Flash Point: 90.4°C
- Refractive Index: 1.456
Butanoic acid,2,4-dichloro-3-oxo-, methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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