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Cyclohexyl Isocyanide - >98.0%(GC), high purity , CAS No.931-53-3

7 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 931-53-3
Molecular Weight: 109.17
Beilstein Registry Number: 3662330
MDL number: MFCD00003839
PubChem CID: 79129

In stock

Item Number

C153258

Grouped product items
SKU	Size	Availability	Price
C153258-1g	1g	3	$34.90
C153258-5g	5g	3	$153.90
C153258-25g	25g	2	$692.90
C153258-100g	100g	2	$2,493.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS001476742 \| STK893682 \| Cyclohexane, isocyano- \| NSC60128 \| NSC-60128 \| Cyclohexaneisonitrile \| Ketorolac tromethamine salt \| A904753 \| DTXSID90239266 \| CYI \| Isocyanocyclohexane \| Isocyano-cyclohexane \| SCHEMBL243870 \| N7L87QP9YG \| InChI=1/C7H11N/c1-
Specifications & Purity	≥98%(GC)
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.
Product Description	Cyclohexyl isocyanide reacts with dimethyl acetylenedicarboxylate to give a mixture of cyclopenta[b]pyridine derivatives, azaspirononatriene derivative and the azabicyclononatriene. It reacts with dialkyl acetylenedicarboxylates to form 1:1 intermediate which on facile addition to 1-benzylisatin and tryptantrin yields highly functionalized novel unsaturated γ-spiroiminolactones.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic isocyanides

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	isocyanide
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	isocyanocyclohexane
INCHI	InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
InChIKey	XYZMOVWWVXBHDP-UHFFFAOYSA-N
Smiles	[C-]#[N+]C1CCCCC1
Isomeric SMILES	[C-]#[N+]C1CCCCC1
WGK Germany	3
Molecular Weight	109.17
Beilstein	3662330
Reaxy-Rn	1563093
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1563093&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
C2514023	Certificate of Analysis	Mar 27, 2025	C153258
E2117095	Certificate of Analysis	Mar 04, 2025	C153258
E2117098	Certificate of Analysis	Mar 04, 2025	C153258
J2213283	Certificate of Analysis	Jul 25, 2022	C153258
K2413111	Certificate of Analysis	Jul 25, 2022	C153258
F23051241	Certificate of Analysis	Jul 25, 2022	C153258
C2514022	Certificate of Analysis	Jul 25, 2022	C153258
J2213284	Certificate of Analysis	Jul 25, 2022	C153258
C2514020	Certificate of Analysis	Nov 09, 2021	C153258
L2318164	Certificate of Analysis	Apr 30, 2021	C153258

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Refractive Index	1.45
Flash Point(°F)	170.6 °F
Flash Point(°C)	77°C(lit.)
Boil Point(°C)	78°C/27mmHg(lit.)
Molecular Weight	109.170 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	109.089 Da
Monoisotopic Mass	109.089 Da
Topological Polar Surface Area	4.400 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103.000
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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