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2H,2H,3H,3H-Perfluoroundecanoyl chloride - ≥97%, high purity , CAS No.89373-67-1
Basic Description
Synonyms
DTXSID90446276 | 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoyl chloride, >=97.0% (GC) | SCHEMBL3964350 | 4 4 5 5 6 6 ....-Heptadecafluoro-undecan | 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoyl chloride | (Perfluorooc
Specifications & Purity
≥97%
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
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
Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Carbonyl group - Alkyl halide - Alkyl fluoride - 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
Pubchem Sid
504765654
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765654
IUPAC Name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride
INCHI
InChI=1S/C11H4ClF17O/c12-3(30)1-2-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29/h1-2H2
InChIKey
QYLZAPXXSYDKKB-UHFFFAOYSA-N
Smiles
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)Cl
Isomeric SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)Cl
WGK Germany
3
Molecular Weight
510.57
Reaxy-Rn
3574069
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3574069&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Molecular Weight
510.570 g/mol
XLogP3
6.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
18
Rotatable Bond Count
9
Exact Mass
509.968 Da
Monoisotopic Mass
509.968 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
649.000
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
Alternative Products
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl iodide
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H2324690