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Diethylmalonyl dichloride - 98%, high purity , CAS No.54505-72-5
Basic Description
Synonyms
FT-0640255 | Diethylmalonyl dichloride, 98% | Diethyl malonyl dichloride | SCHEMBL551928 | 2,2-diethylmalonyl dichloride | Diethylmalonic acid dichloride | DTXSID40399920 | Diathylmalonylchlorid | diethylmalonyl chloride | 2,2-diethylpropanedioyl Dichlori
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Diethylmalonyl dichloride has been used in the preparation of:5,5-diethyl-1,3-dihydroxybarbituric acid (N,N′-dihydroxyveronal) via condensation with 1,3-dibenzyloxyurea1,11-dibronzo-4,8-diaza-6,6-diethyl-5,7-dioxoundecaneamide containing crowned derivatives of dithiomaleonitrile
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Acyl halides
Subclass
Acyl chlorides
Intermediate Tree Nodes
Not available
Direct Parent
Acyl chlorides
Alternative Parents
Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,2-diethylpropanedioyl dichloride
INCHI
InChI=1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3
InChIKey
FWKCXFPQSXNCBW-UHFFFAOYSA-N
Smiles
CCC(CC)(C(=O)Cl)C(=O)Cl
Isomeric SMILES
CCC(CC)(C(=O)Cl)C(=O)Cl
WGK Germany
3
Molecular Weight
197.06
Reaxy-Rn
742482
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742482&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
165.2 °F
Flash Point(°C)
74 °C
Molecular Weight
197.060 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
196.006 Da
Monoisotopic Mass
196.006 Da
Topological Polar Surface Area
34.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
157.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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