2-Iodotoluene - ≥98%, contains Copper chip as stabilizer , CAS No.615-37-2

CAS: 615-37-2 Cat. No.: I103584 Fórmula: CH₃C₆H₄I Peso molecular: 218.03 Beilstein Registry Number: 1634294 Número CE: 210-422-9

GRADE & PURITY ≥98%, contains Copper chip as stabilizer

Synonyms

1-Iodo-2-methylbenzene | 1-iodo-2-methyl-benzene | NSC3774 | NSC-3774 | DTXSID0060646 | 2-Iodotoluene | 2-iodo-toluene | 2-METHYL-1-IODOBENZENE | I0217 | CHEBI:39813 | O-METHYLPHENYL IODIDE | CBiol_000851 | UNII-8OK4H85T07 | 2-TOLYL IODIDE | 2-Iodotoluene

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Iodo-2-methylbenzene | 1-iodo-2-methyl-benzene | NSC3774 | NSC-3774 | DTXSID0060646 | 2-Iodotoluene | 2-iodo-toluene | 2-METHYL-1-IODOBENZENE | I0217 | CHEBI:39813 | O-METHYLPHENYL IODIDE | CBiol_000851 | UNII-8OK4H85T07 | 2-TOLYL IODIDE | 2-Iodotoluene

Especificações e pureza

≥98%, contains Copper chip as stabilizer

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488179879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179879
• Sorrisos canónicos: CC1=CC=CC=C1I
• IUPAC Name: 1-iodo-2-methylbenzene
• InChIKey: RINOYHWVBUKAQE-UHFFFAOYSA-N
• INCHI: 1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
• SMILES isoméricas: CC1=CC=CC=C1I
• WGK Alemanha: 3
• Peso molecular: 218.03
• Beilstein: 1634294
• Reaxy-Rn: 1634294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634294&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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: toluenes - iodoarene

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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Índice de refração: 1.61
• Ponto de inflamação (°F): 194 °F
• Ponto de inflamação (°C): 90 °C
• Ponto de ebulição (°C): 211°C
• Peso molecular: 218.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 217.959 Da
• Monoisotopic Mass: 217.959 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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