Basic Description

Synonyms	DTXSID50182047 \| DB01826 \| n-butyl isonitrile \| N-BUTYLISOCYANIDE \| EN300-1828387 \| Butane,1-isocyano- \| AKOS001476984 \| MFCD00000008 \| bu-tylisonitrile \| n-Butyl isocyanide \| GS-0288 \| STK893450 \| 1-Butylisocyanide \| EINECS 220-458-7 \| BBL020760 \| butyl
Specifications & Purity	≥97%
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

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

Names and Identifiers

IUPAC Name	1-isocyanobutane
INCHI	InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
InChIKey	FSBLVBBRXSCOKU-UHFFFAOYSA-N
Smiles	CCCC[N+]#[C-]
Isomeric SMILES	CCCC[N+]#[C-]
Molecular Weight	83.13
Reaxy-Rn	1850547
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850547&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	83.130 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	83.0735 Da
Monoisotopic Mass	83.0735 Da
Topological Polar Surface Area	4.400 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	57.600
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

How to Cite Aladdin Scientific Products?

1. Hui Yang, Chaonan Tao, Lincai Peng, Junhua Zhang, Liang He, Huai Liu. (2022) Reactive and Mechanistic Insights into the Acid-Catalyzed Conversion of Concentrated C5/C6 Sugars in Ethylene Glycol. ACS Sustainable Chemistry & Engineering, 10 (5): (1920–1931).
2. Chaonan Tao, Lincai Peng, Junhua Zhang, Liang He. (2021) Al-modified heteropolyacid facilitates alkyl levulinate production from cellulose and lignocellulosic biomass: Kinetics and mechanism studies. FUEL PROCESSING TECHNOLOGY, 213 (106709).

Solution Calculators

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SKU	Size	Availability	Price	Qty
N281419-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
N281419-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90

n-Butylisocyanide - 97%, high purity , CAS No.2769-64-4