Cyclopropyl isocyanate - ≥97% , CAS No.4747-72-2

CAS: 4747-72-2 Cat. No.: I184669 Molecular Weight: 83.09 EC Number: 820-137-7

GRADE & PURITY ≥97%

Synonyms

cyclopropane, isocyanato- | DTXSID40348478 | MFCD02093694 | SY008162 | CYCLOPROPYL,ISOCYANATE | Z316172632 | AB10805 | F2163-0009 | DBBRJAWSDTYYBM-UHFFFAOYSA-N | EN300-64906 | isocyanato cyclopropane | A852109 | AC8066 | cyclopropylisocyanate | AKOS000193

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

cyclopropane, isocyanato- | DTXSID40348478 | MFCD02093694 | SY008162 | CYCLOPROPYL, ISOCYANATE | Z316172632 | AB10805 | F2163-0009 | DBBRJAWSDTYYBM-UHFFFAOYSA-N | EN300-64906 | isocyanato cyclopropane | A852109 | AC8066 | cyclopropylisocyanate | AKOS000193

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759632
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759632
• Canonical Smiles: C1CC1N=C=O
• IUPAC Name: isocyanatocyclopropane
• InChIKey: DBBRJAWSDTYYBM-UHFFFAOYSA-N
• INCHI: 1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2
• Isomeric SMILES: C1CC1N=C=O
• Molecular Weight: 83.09
• Reaxy-Rn: 969701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Isocyanates

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Chloroform (Sparingly), Methanol (Slightly)
• Sensitivity: Moisture sensitive
• Molecular Weight: 83.090 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 83.0371 Da
• Monoisotopic Mass: 83.0371 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 89.700
• 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

References

1. Mingjie Li, Xuesong Peng, Jie Jiang, Yaqiang Li, Fan Meng, Youzheng Wu, Maozhong An, Ruopeng Li, Penghui Ren, Peixia Yang.  (2025)  Filling performance of an Acid Blue 1 leveler on blind microvias.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D4NJ05470A]