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2-Iodo-1,1-difluoroethane - 98%, high purity , CAS No.598-39-0
Basic Description
Synonyms
AMY20040 | SY027169 | EN300-137701 | 2-Iodo-1,1-difluoroethane | A832496 | 2,2-difluoro-1-iodoethane | FT-0676831 | AS-31630 | DTXSID00975209 | MFCD04038311 | 1, 1-difluoro-2-iodo-ethane | 1,1-difluoro-2-iodoethane | 1,1-difluoro-2-iodo-ethane | 2,2-diflu
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organoiodides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organoiodides
Alternative Parents
Organofluorides Hydrocarbon derivatives Alkyl iodides Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organoiodide - Organofluoride - Alkyl iodide - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine 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
504762757
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762757
IUPAC Name
1,1-difluoro-2-iodoethane
INCHI
InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2
InChIKey
VMFCTZUYOILUMY-UHFFFAOYSA-N
Smiles
C(C(F)F)I
Isomeric SMILES
C(C(F)F)I
Molecular Weight
191.9
Reaxy-Rn
1731844
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731844&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.950 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
191.925 Da
Monoisotopic Mass
191.925 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
21.600
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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