3-Ethyl-2-iodotoluene - ≥98% , CAS No.175277-95-9

CAS: 175277-95-9 Cat. No.: E300042 Fórmula: C₉H₁₁I Peso molecular: 246.09 Número EC: 982-809-7

GRADE & PURITY ≥98%

Synonyms

J-011097 | A881596 | EN300-7654406 | SCHEMBL1517219 | 2-Ethyl-6-Methyliodobenzene | AKOS015908739 | MFCD00052855 | 1-ethyl-2-iodo-3-methylbenzene | Benzene, 1-ethyl-2-iodo-3-methyl- | AS-61581 | 3-Ethyl-2-iodotoluene | DTXSID80370152 | FT-0607740 | Benzen

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-011097 | A881596 | EN300-7654406 | SCHEMBL1517219 | 2-Ethyl-6-Methyliodobenzene | AKOS015908739 | MFCD00052855 | 1-ethyl-2-iodo-3-methylbenzene | Benzene, 1-ethyl-2-iodo-3-methyl- | AS-61581 | 3-Ethyl-2-iodotoluene | DTXSID80370152 | FT-0607740 | Benzen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC1=CC=CC(=C1I)C
• IUPAC Name: 1-ethyl-2-iodo-3-methylbenzene
• InChIKey: PCSPENCTMKMGFE-UHFFFAOYSA-N
• INCHI: 1S/C9H11I/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
• Isómeros SMILES: CCC1=CC=CC(=C1I)C
• Peso molecular: 246.09
• Reaxy-Rn: 2243961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2243961&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Toluenes Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Iodobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de ebullición (°C): 118-120°/15mm
• Peso molecular: 246.090 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 245.991 Da
• Monoisotopic Mass: 245.991 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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

Preguntas frecuentes

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.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 175277-95-9, the molecular formula is C9H11I, and the molecular weight is 246.09 g/mol. InChIKey PCSPENCTMKMGFE-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.