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

CAS: 615-37-2 Cat. No.: I103584 Formula: CH₃C₆H₄I Peso molecolare: 218.03 Beilstein Registry Number: 1634294 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%, contains Copper chip as stabilizer

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488179879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179879
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=CC=CC=C1I
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.61
• Punto di infiammabilità (°F): 194 °F
• Punto di infiammabilità (°C): 90 °C
• Punto di ebollizione (°C): 211°C
• Peso molecolare: 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

Riferimenti

1. Long Jiang, Yaojie Liu, Lulu Zhang, Liang Qin, Zongjiang Yu, Mo Xian, Weizhi Sun, Chao Xu.  (2024)  Efficient capture of Pd by multidentate S/N-containing group modified materials: An important piece of puzzle for electron transfer ratio ligand design.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151680]