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Chloroiodoacetic acid , CAS No.53715-09-6
Basic Description
Synonyms
Chloro(iodo)acetic acid | Chloroiodoacetic Acid | SCHEMBL2439582 | 2-Chloro-2-iodoacetic Acid | AKOS040758183 | HY-133658 | FT-0664736 | DTXSID10633989
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-halocarboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organochloride - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
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-chloro-2-iodoacetic acid
INCHI
InChI=1S/C2H2ClIO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
ORHUCRGLFVRTJV-UHFFFAOYSA-N
Smiles
C(C(=O)O)(Cl)I
Isomeric SMILES
C(C(=O)O)(Cl)I
UN Number
2923
Packing Group
I
Molecular Weight
220.39
Reaxy-Rn
1720557
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720557&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
220.390 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
219.879 Da
Monoisotopic Mass
219.879 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
64.599
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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