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1,8-Dibromohexadecafluorooctane - 97%, high purity , CAS No.812-58-8
Basic Description
Synonyms
1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane | 1,8-Dibromoperfluorooctane | Perfluoro-1,8-dibromooctane
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organofluorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organofluorides
Alternative Parents
Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine 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
504761331
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761331
IUPAC Name
1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
INCHI
InChI=1S/C8Br2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
InChIKey
LYRJPHOHVRHNQH-UHFFFAOYSA-N
Smiles
C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F
Isomeric SMILES
C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F
Molecular Weight
559.87
Reaxy-Rn
2016023
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2016023&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Boil Point(°C)
180 °C
Melt Point(°C)
39 °C
Molecular Weight
559.870 g/mol
XLogP3
7.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
16
Rotatable Bond Count
7
Exact Mass
559.809 Da
Monoisotopic Mass
557.811 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
488.000
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
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G2431206