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Methyl 2-chloroacetimidate hydrochloride , CAS No.70737-12-1
Basic Description
Synonyms
Methyl 2-chloroacetimidate hydrochloride | Methyl 2-chloroethanimidate--hydrogen chloride (1/1) | MFCD16621446 | Methyl2-chloroacetimidatehydrochloride | DTXSID50506709 | E73793 | methyl 2-chloroethanimidate;hydrochloride | ZPKRTCMWHONHLA-UHFFFAOYSA-N | F
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Reactant for:Modular synthesis of chiral homo- and heterotrisoxazolines as chiral ligands in the asymmetrical Michael addition of indole to benzylidenemalonatePreparation of benzothiazolylthio oxadiazoles
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Subclass
Imidoesters
Intermediate Tree Nodes
Not available
Direct Parent
Imidoesters
Alternative Parents
Organooxygen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Imido ester - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group.
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
methyl 2-chloroethanimidate;hydrochloride
INCHI
InChI=1S/C3H6ClNO.ClH/c1-6-3(5)2-4;/h5H,2H2,1H3;1H
InChIKey
ZPKRTCMWHONHLA-UHFFFAOYSA-N
Smiles
COC(=N)CCl.Cl
Isomeric SMILES
COC(=N)CCl.Cl
WGK Germany
3
PubChem CID
12680765
Molecular Weight
144
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
144.000 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
142.99 Da
Monoisotopic Mass
142.99 Da
Topological Polar Surface Area
33.100 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
54.800
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
2
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