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i-Propylisocyanide - 97%, high purity

COA

Grade & Purity:

≥97%

Cas Number: 598-45-8
Molecular Weight: 69.11
MDL number: MFCD00015503
PubChem CID: 150783

In stock

Item Number

I281432

Grouped product items
SKU	Size	Availability	Price	Qty
I281432-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90
I281432-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,040.90

Ligands & Chiral Ligands

Basic Description

Synonyms	FT-0691719 \| isopropylisocyanide \| MJZUMMKYWBNKIP-UHFFFAOYSA-N \| 2-isocyanopropane \| 2-Isocyano-propane \| isopropyl isonitrile \| iso-propyl isonitrile \| isopropylisoni-trile \| MFCD00015503 \| AKOS015912693 \| 1-Propylisocyanide \| Isopropyl isocyanide \| GS-0
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

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 acyclic compounds
Substituents	Organic isocyanide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic 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
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-isocyanopropane
INCHI	InChI=1S/C4H7N/c1-4(2)5-3/h4H,1-2H3
InChIKey	MJZUMMKYWBNKIP-UHFFFAOYSA-N
Smiles	CC(C)[N+]#[C-]
Isomeric SMILES	CC(C)[N+]#[C-]
WGK Germany	3
Molecular Weight	69.11
Reaxy-Rn	1849278
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1849278&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	68 °F
Flash Point(°C)	20 °C
Molecular Weight	69.110 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	69.0578 Da
Monoisotopic Mass	69.0578 Da
Topological Polar Surface Area	4.400 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	55.300
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

Solution Calculators

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