Cyclopentyl Isocyanate - ≥98%(GC) , CAS No.4747-71-1

CAS: 4747-71-1 Cat. No.: C153263 Summenformel: C₆H₉NO Molekulargewicht: 111.14 EG-Nummer: 628-278-4

GRADE & PURITY ≥98%(GC)

Synonyms

BB 0259968 | isocyanato cyclopentane | SCHEMBL6196 | Cyclopentylisocyanate | AKOS000185060 | CZALJDQHONFVFU-UHFFFAOYSA-N | DTXSID20349201 | EN300-54825 | BBL036935 | FT-0635426 | isocyanatocyclopentane | isocyanato-cyclopentane | STK500758 | Z316172554 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

BB 0259968 | isocyanato cyclopentane | SCHEMBL6196 | Cyclopentylisocyanate | AKOS000185060 | CZALJDQHONFVFU-UHFFFAOYSA-N | DTXSID20349201 | EN300-54825 | BBL036935 | FT-0635426 | isocyanatocyclopentane | isocyanato-cyclopentane | STK500758 | Z316172554 |

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

508813483

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813483

Kanonisches Lächeln

C1CCC(C1)N=C=O

IUPAC Name

isocyanatocyclopentane

InChIKey

CZALJDQHONFVFU-UHFFFAOYSA-N

INCHI

1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2

Isomere SMILES

C1CCC(C1)N=C=O

WGK Deutschland

3

UN-Nummer

UN3080

Verpackungsgruppe

II

Molekulargewicht

111.14

Reaxy-Rn

2075400

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2075400&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat&Moisture sensitive.
• Brechungsindex: n20/D 1.447 (lit.)
• Flammpunkt (°F): 96.8 °F
• Flammpunkt (°C): 36°C(lit.)
• Siedepunkt (°C): 146°C(lit.)
• Molekulargewicht: 111.140 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.068 Da
• Monoisotopic Mass: 111.068 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 110.000
• 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