Trans-1-Iodo-1-hexene - ≥95% , CAS No.16644-98-7

CAS: 16644-98-7 Cat. No.: T332422 Molecular Weight: 210.06 EC Number: 624-807-8 PubChem CID: 5362933

GRADE & PURITY ≥95%

Synonyms

1-Hexene, 1-iodo-, (1E)- | (1E)-1-Iodo-1-hexene # | AT25371 | trans-1-Iodo-1-hexene, technical grade, >=90% (GC) | J-010286 | starbld0038468 | (1E)-1-Iodo-1-hexene | (E)-1-iodo-hex-1-ene | (E)-1-iodohex-1-ene | 1-Hexene, 1-iodo-, (E)- | (1E)-1-IODOHEX-1-E

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Hexene, 1-iodo-, (1E)- | (1E)-1-Iodo-1-hexene # | AT25371 | trans-1-Iodo-1-hexene, technical grade, >=90% (GC) | J-010286 | starbld0038468 | (1E)-1-Iodo-1-hexene | (E)-1-iodo-hex-1-ene | (E)-1-iodohex-1-ene | 1-Hexene, 1-iodo-, (E)- | (1E)-1-IODOHEX-1-E

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCC=CI
• IUPAC Name: (E)-1-iodohex-1-ene
• InChIKey: TUAPXMNNQGXDDV-AATRIKPKSA-N
• INCHI: 1S/C6H11I/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+
• Isomeric SMILES: CCCC/C=C/I
• WGK Germany: 3
• PubChem CID: 5362933
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 210.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl iodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl iodides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl iodides
• Alternative Parents: Iodoalkenes Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Iodoalkene - Haloalkene - Vinyl iodide - Hydrocarbon derivative - Organoiodide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl iodides. These are vinyl halides in which a iodine atom is bonded to an sp2-hybridised carbon atom.
• 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
• Boil Point(°C): 42-43° C at 3 mmHg
• Molecular Weight: 210.060 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 209.991 Da
• Monoisotopic Mass: 209.991 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1