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

CAS: 4747-72-2 Cat. No.: I184669 Peso molecular: 83.09 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759632
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759632
• Sonrisas canónicas: C1CC1N=C=O
• IUPAC Name: isocyanatocyclopropane
• InChIKey: DBBRJAWSDTYYBM-UHFFFAOYSA-N
• INCHI: 1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2
• Isómeros SMILES: C1CC1N=C=O
• Peso molecular: 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
    • Clase Organonitrogen compounds
      • Subclass Isocyanates

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Sparingly), Methanol (Slightly)
• Sensibilidad: Moisture sensitive
• Peso molecular: 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

Referencias

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]