Cas no 37587-83-0 (Acetic acid,2,2-dichloro-, 3-methylbutyl ester)
37587-83-0 structure
Product Name:Acetic acid,2,2-dichloro-, 3-methylbutyl ester
CAS No:37587-83-0
MF:C7H12Cl2O2
MW:199.074980735779
CID:312909
PubChem ID:142171
Update Time:2025-04-19
Acetic acid,2,2-dichloro-, 3-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2-dichloro-, 3-methylbutyl ester
- 3-methylbutyl 2,2-dichloroacetate
- Acetic acid, dichloro, 3-methylbutyl ester
- Isopentyl dichloroacetate
- 37587-83-0
- DTXSID00191023
- Dichloroacetic acid 3-methylbutyl ester
- Isopentyl dichloroacetate #
- UQQSGXRKRFDREY-UHFFFAOYSA-N
- Dichloroacetic acid, 3-methylbutyl ester
-
- Inchi： 1S/C7H12Cl2O2/c1-5(2)3-4-11-7(10)6(8)9/h5-6H,3-4H2,1-2H3
- InChI Key： UQQSGXRKRFDREY-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCCC(C)C)Cl
Computed Properties
- Exact Mass: 198.02156
- Monoisotopic Mass: 198.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.163
- Boiling Point: 210.1°C at 760 mmHg
- Flash Point: 75.8°C
- Refractive Index: 1.448
- PSA: 26.3
Acetic acid,2,2-dichloro-, 3-methylbutyl ester Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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