(Iodomethyl)benzene - ≥98% , CAS No.620-05-3

CAS: 620-05-3 Cat. No.: B693495 Molecular Weight: 218.03 EC Number: 210-623-1 PubChem CID: 12098

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CI
• IUPAC Name: iodomethylbenzene
• InChIKey: XJTQJERLRPWUGL-UHFFFAOYSA-N
• INCHI: 1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
• Isomeric SMILES: C1=CC=C(C=C1)CI
• Alternate CAS: 620-05-3
• PubChem CID: 12098
• UN Number: 2653
• Packing Group: II
• Molecular Weight: 218.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl halides
• Alternative Parents: Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl halides. These are organic compounds containing a benzene skeleton substituted with a halomethyl group.
• 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• Molecular Weight: 218.030 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• 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: 55.400
• 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