i-Propylisocyanide - ≥97% , CAS No.598-45-8

CAS: 598-45-8 Cat. No.: I281432 Formula: (CH₃)₂CHNC Peso molecolare: 69.11 Numero EC: 633-124-4

GRADE & PURITY ≥97%

Synonyms

FT-0691719 | isopropylisocyanide | MJZUMMKYWBNKIP-UHFFFAOYSA-N | 2-isocyanopropane | 2-Isocyano-propane | isopropyl isonitrile | iso-propyl isonitrile | isopropylisoni-trile | MFCD00015503 | AKOS015912693 | 1-Propylisocyanide | Isopropyl isocyanide | GS-0

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

FT-0691719 | isopropylisocyanide | MJZUMMKYWBNKIP-UHFFFAOYSA-N | 2-isocyanopropane | 2-Isocyano-propane | isopropyl isonitrile | iso-propyl isonitrile | isopropylisoni-trile | MFCD00015503 | AKOS015912693 | 1-Propylisocyanide | Isopropyl isocyanide | GS-0

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC(C)[N+]#[C-]

IUPAC Name

2-isocyanopropane

InChIKey

MJZUMMKYWBNKIP-UHFFFAOYSA-N

INCHI

1S/C4H7N/c1-4(2)5-3/h4H,1-2H3

Isomeri SMILES

CC(C)[N+]#[C-]

WGK Germania

3

Peso molecolare

69.11

Reaxy-Rn

1849278

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1849278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic isocyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 68 °F
• Punto di infiammabilità (°C): 20 °C
• Peso molecolare: 69.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 69.0578 Da
• Monoisotopic Mass: 69.0578 Da
• Topological Polar Surface Area: 4.400 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 55.300
• 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