2-Ethylhexyl isocyanate - ≥98% , CAS No.20392-34-1

CAS: 20392-34-1 Cat. No.: E472325 Formule: C₉H₁₇NO Poids moléculaire: 155.24 Numéro CE: 627-264-5

GRADE & PURITY ≥98%

Synonyms

MFCD10566940 | 2-ETHYLHEXYL ISOCYANATE | Heptane, 3-(isocyanatomethyl)- | DTXSID30504400 | SCHEMBL130738 | GEO-03755 | 2-Ethylhexyl isocyanate, 98% | AKOS015912858 | 2-Ethylhexylisocyanate | 3-(ISOCYANATOMETHYL)HEPTANE | BHDCTKUOBUNTTP-UHFFFAOYSA-N | J-01

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

MFCD10566940 | 2-ETHYLHEXYL ISOCYANATE | Heptane, 3-(isocyanatomethyl)- | DTXSID30504400 | SCHEMBL130738 | GEO-03755 | 2-Ethylhexyl isocyanate, 98% | AKOS015912858 | 2-Ethylhexylisocyanate | 3-(ISOCYANATOMETHYL)HEPTANE | BHDCTKUOBUNTTP-UHFFFAOYSA-N | J-01

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCCCC(CC)CN=C=O
• IUPAC Name: 3-(isocyanatomethyl)heptane
• InChIKey: BHDCTKUOBUNTTP-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3
• Isomères SMILES: CCCCC(CC)CN=C=O
• WGK Allemagne: 3
• Poids moléculaire: 155.24
• Reaxy-Rn: 1760188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760188&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: n20/D 1.4320 (lit.)
• Point d'éclair (°F): 158 °F
• Point d'éclair (°C): 70 °C
• Point d'ébullition (°C): 190 °C (lit.)
• Poids moléculaire: 155.240 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 155.131 Da
• Monoisotopic Mass: 155.131 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.