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1-Fluorooctane - 98%, high purity , CAS No.463-11-6
Basic Description
Synonyms
NSC62037 | NSC-62037 | NSC 62037 | 1-Fluorooctane, 98% | A827027 | MFCD00013582 | 1-FLUOROOCTANE | 1-fluoro-octane | BRN 1697462 | 1-Octyl fluoride | SCHEMBL294511 | LS-13526 | FT-0607787 | UNII-5JW9M3F8RW | 5JW9M3F8RW | DTXSID70196787 | EINECS 207-333-2
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
1-Fluorooctane undergoes C-F bond-cleavage reaction with phenyl magnesium chloride to give n-octylbenzene. It reacts rapidly with trimethylsilyl iodide to give corresponding octyl iodides and trimethylsilyl fluoride.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organofluorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organofluorides
Alternative Parents
Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - 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
504751899
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751899
IUPAC Name
1-fluorooctane
INCHI
InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
DHIVLKMGKIZOHF-UHFFFAOYSA-N
Smiles
CCCCCCCCF
Isomeric SMILES
CCCCCCCCF
WGK Germany
3
RTECS
RG9700000
UN Number
1993
Packing Group
III
Molecular Weight
132.22
Reaxy-Rn
1697462
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697462&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
107.6 °F
Flash Point(°C)
42 °C
Boil Point(°C)
142-146°C
Molecular Weight
132.220 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
6
Exact Mass
132.131 Da
Monoisotopic Mass
132.131 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
43.800
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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G2315497