The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
1,1,3,3-Tetramethylbutyl isocyanide - technical grade, high purity , CAS No.14542-93-9
Basic Description
Synonyms
1,1,3,3-Tetramethylbutyl isocyanide | AKOS015959087 | NSC-141688 | tert-Octyl isocyanide, Walborsky's reagent | FT-0606002 | tert-Octylisocyanide | (2,4,4-trimethylpentane-2-yl)-isocyanide | MFCD00000003 | BS-21409 | 1,3,3-Tetramethylbutylisonitrile | SCH
Specifications & Purity
technical grade
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.
Grade
technical grade
Product Description
Description
1,1,3,3-Tetramethylbutyl isocyanide was used in the synthesis of substituted furans and imides.
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 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
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
IUPAC Name
2-isocyano-2,4,4-trimethylpentane
INCHI
InChI=1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3
InChIKey
YVPXQMYCTGCWBE-UHFFFAOYSA-N
Smiles
CC(C)(C)CC(C)(C)[N+]#[C-]
Isomeric SMILES
CC(C)(C)CC(C)(C)[N+]#[C-]
PubChem CID
26725
Molecular Weight
139.24
Reaxy-Rn
2076559
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.42
Flash Point(°F)
52°C(lit.)
Flash Point(°C)
52°C(lit.)
Boil Point(°C)
50°C/12mmHg
Molecular Weight
139.240 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
139.136 Da
Monoisotopic Mass
139.136 Da
Topological Polar Surface Area
4.400 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
151.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
