Cas no 35073-82-6 (Butanedioic acid,2-chloro-3-oxo-, 1,4-dimethyl ester)
35073-82-6 structure
Product Name:Butanedioic acid,2-chloro-3-oxo-, 1,4-dimethyl ester
CAS No:35073-82-6
MF:C6H7ClO5
MW:194.569781541824
CID:316808
PubChem ID:3015729
Update Time:2025-04-19
Butanedioic acid,2-chloro-3-oxo-, 1,4-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-chloro-3-oxo-, 1,4-dimethyl ester
- dimethyl 2-chloro-3-oxobutanedioate
- Dimethyl chlorooxosuccinate
- NS00055335
- EINECS 252-344-8
- DTXSID60956514
- 35073-82-6
- AKOS006328128
- SCHEMBL7583623
-
- Inchi： 1S/C6H7ClO5/c1-11-5(9)3(7)4(8)6(10)12-2/h3H,1-2H3
- InChI Key： HQOMJNUPLXPBNB-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OC)C(C(=O)OC)=O
Computed Properties
- Exact Mass: 193.99821
- Monoisotopic Mass: 193.998
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 212
- 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: 0.7
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- Density: 1.356
- Boiling Point: 236°C at 760 mmHg
- Flash Point: 99°C
- Refractive Index: 1.445
- PSA: 69.67
Butanedioic acid,2-chloro-3-oxo-, 1,4-dimethyl ester Related Literature
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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