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Cyclopentyl Isocyanide - 98%, high purity , CAS No.68498-54-4
Basic Description
Synonyms
T71226 | Cyclopentylisocyanide | DTXSID50370503 | AKOS007930589 | MFCD02664624 | Isocyanocyclopentane | Isocyano-cyclopentane | GEO-02903 | Isocyano-cyclopentan | cyclopentyl isocyanide | EN300-719371 | FT-0693426 | C2959 | SY050646 | XTLSDEJNOQVCHL-UHFFF
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Organic isocyanides
Intermediate Tree Nodes
Not available
Direct Parent
Organic isocyanides
Alternative Parents
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Organic isocyanide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-).
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
504761197
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761197
IUPAC Name
isocyanocyclopentane
INCHI
InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h6H,2-5H2
InChIKey
XTLSDEJNOQVCHL-UHFFFAOYSA-N
Smiles
[C-]#[N+]C1CCCC1
Isomeric SMILES
[C-]#[N+]C1CCCC1
Molecular Weight
95.15
Reaxy-Rn
3935239
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3935239&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive,Heat Sensitive
Refractive Index
1.44
Boil Point(°C)
28°C/0.4mmHg(lit.)
Molecular Weight
95.140 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
95.0735 Da
Monoisotopic Mass
95.0735 Da
Topological Polar Surface Area
4.400 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
92.000
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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B23211098