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

CAS: 175277-95-9 Cat. No.: E300042 分子式: C₉H₁₁I 分子量: 246.09 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CCC1=CC=CC(=C1I)C
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive
• 沸点（°C）: 118-120°/15mm
• 分子量: 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

よくある質問

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.