3-Ethylphenyl isocyanate - ≥95% , CAS No.23138-58-1

CAS: 23138-58-1 Cat. No.: E341480 Formula: C₉H₉NO Peso molecolare: 147.18 Beilstein Registry Number: 386718 Numero EC: 626-045-1

GRADE & PURITY ≥95%

Synonyms

W-200242 | FT-0615665 | SCHEMBL58461 | 3-Ethylphenyl isocyanate | STK502538 | MFCD00013870 | GEO-01373 | 1-ethyl-3-isocyanatobenzene | 1-ethyl-3-isocyanato-benzene | BBL037644 | DTXSID50377810 | FS-5428 | AKOS005171071 | EN300-146917 | 3-ethylphenylisocya

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

W-200242 | FT-0615665 | SCHEMBL58461 | 3-Ethylphenyl isocyanate | STK502538 | MFCD00013870 | GEO-01373 | 1-ethyl-3-isocyanatobenzene | 1-ethyl-3-isocyanato-benzene | BBL037644 | DTXSID50377810 | FS-5428 | AKOS005171071 | EN300-146917 | 3-ethylphenylisocya

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488193422
• Sorrisi canonici: CCC1=CC(=CC=C1)N=C=O
• IUPAC Name: 1-ethyl-3-isocyanatobenzene
• InChIKey: DNFZCDLEGMEKMI-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3
• Isomeri SMILES: CCC1=CC(=CC=C1)N=C=O
• Peso molecolare: 147.18
• Beilstein: 386718
• Reaxy-Rn: 386718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Indice di rifrazione: 1.5270
• Punto di infiammabilità (°F): 185°F
• Punto di infiammabilità (°C): 85°C
• Punto di ebollizione (°C): 104° C (lit.) at 40 mmHg
• Punto di fusione (°C): -7.64° C (Predicted)
• Peso molecolare: 147.170 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23138-58-1, the molecular formula is C9H9NO, and the molecular weight is 147.18 g/mol. InChIKey DNFZCDLEGMEKMI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.