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

CAS: 20392-34-1 Cat. No.: E472325 Formula: C₉H₁₇NO Peso molecolare: 155.24 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CCCCC(CC)CN=C=O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: n20/D 1.4320 (lit.)
• Punto di infiammabilità (°F): 158 °F
• Punto di infiammabilità (°C): 70 °C
• Punto di ebollizione (°C): 190 °C (lit.)
• Peso molecolare: 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

Domande frequenti

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.