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Chlorofluoroacetic acid - 97%, high purity , CAS No.471-44-3
Basic Description
Synonyms
2-chloro-2-fluoroacetic acid | AKOS006343239 | MFCD19228891 | SY276751 | FT-0676800 | MFCD00871521 | MFCD19229828 | SY276752 | EN300-149523 | Acetic acid, chlorofluoro- | NSC 95117 | SCHEMBL11879523 | SCHEMBL301084 | SY275169 | C2H2ClFO2 | 2-Chloro-2-fluo
Specifications & Purity
≥97%
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
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 Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides 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 - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - 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
Pubchem Sid
504756397
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756397
IUPAC Name
2-chloro-2-fluoroacetic acid
INCHI
InChI=1S/C2H2ClFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
JBIKZDFUXGHTHD-UHFFFAOYSA-N
Smiles
C(C(=O)O)(F)Cl
Isomeric SMILES
C(C(=O)O)(F)Cl
UN Number
3265
Packing Group
III
Molecular Weight
112.49
Reaxy-Rn
1743034
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743034&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Flash Point(°C)
59 °C
Boil Point(°C)
162° C
Molecular Weight
112.490 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
111.973 Da
Monoisotopic Mass
111.973 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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