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1-Chloroheptane - >99.0%(GC), high purity , CAS No.629-06-1
Basic Description
Synonyms
1-Chloroheptane, 99% | Heptyl chloride | MFCD00001021 | 1-CHLOROHEPTANE | 1-chloro-heptane | EINECS 211-070-9 | SCHEMBL44335 | A834082 | FT-0607647 | n-Heptyl chloride | Q15726086 | InChI=1/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H | 2F3Z1E37X5 | Heptane, 1-chlo
Specifications & Purity
≥99%(GC)
Shipped In
Normal
Product Description
Application
1-Chloroheptane was used in the coupling of a GC to the ICP-MHMS-FPC for the determination of halogenated hydrocarbons and organometallic species.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organochlorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organochlorides
Alternative Parents
Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181642
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181642
IUPAC Name
1-chloroheptane
INCHI
InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
DZMDPHNGKBEVRE-UHFFFAOYSA-N
Smiles
CCCCCCCCl
Isomeric SMILES
CCCCCCCCl
WGK Germany
3
UN Number
1993
Packing Group
I
Molecular Weight
134.65
Beilstein
1697160
Reaxy-Rn
1697159
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697159&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.425
Flash Point(°F)
100.4 °F
Flash Point(°C)
45°C(lit.)
Boil Point(°C)
159°C
Melt Point(°C)
−69 °C
Molecular Weight
134.650 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
5
Exact Mass
134.086 Da
Monoisotopic Mass
134.086 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
35.400
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
Citations of This Product
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1 Citations
J2428557