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

CAS: 615-37-2 Cat. No.: I103584 Formula: CH₃C₆H₄I Molecular Weight: 218.03 Beilstein Registry Number: 1634294 EC Number: 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

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

Specifications & Purity

≥98%, contains Copper chip as stabilizer

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488179879

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179879

Canonical Smiles

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

Isomeric SMILES

CC1=CC=CC=C1I

WGK Germany

3

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Refractive Index: 1.61
• Flash Point(°F): 194 °F
• Flash Point(°C): 90 °C
• Boil Point(°C): 211°C
• Molecular Weight: 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