2-Iodopyrazine - ≥97%(GC) , CAS No.32111-21-0

CAS: 32111-21-0 Cat. No.: I157423 Molecular Weight: 205.99 EC Number: 628-237-0

GRADE & PURITY ≥97%(GC)

Synonyms

A5778 | AC-16631 | 3,3,4,4,5,5-HEXABROMOBIPHENYL | FT-0650275 | pyrazine, 2-iodo- | AKOS015853717 | DTXSID90953990 | I0837 | Iodopyrazine, 97% | SCHEMBL5349 | Iodopyrazine | iodo-pyrazine | AM20070341 | 2-IODO-1,3-DIAZINE | Z1235940810 | 2-iodopyrazine |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

A5778 | AC-16631 | 3, 3, 4, 4, 5, 5-HEXABROMOBIPHENYL | FT-0650275 | pyrazine, 2-iodo- | AKOS015853717 | DTXSID90953990 | I0837 | Iodopyrazine, 97% | SCHEMBL5349 | Iodopyrazine | iodo-pyrazine | AM20070341 | 2-IODO-1, 3-DIAZINE | Z1235940810 | 2-iodopyrazine |

Specifications & Purity

≥97%(GC)

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488190947
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190947
• Canonical Smiles: C1=CN=C(C=N1)I
• IUPAC Name: 2-iodopyrazine
• InChIKey: OYWPFIUVDKHHGQ-UHFFFAOYSA-N
• INCHI: 1S/C4H3IN2/c5-4-3-6-1-2-7-4/h1-3H
• Isomeric SMILES: C1=CN=C(C=N1)I
• WGK Germany: 3
• Molecular Weight: 205.99
• Reaxy-Rn: 506996
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506996&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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
• Refractive Index: 1.65
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 110°C/34mmHg(lit.)
• Molecular Weight: 205.980 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.934 Da
• Monoisotopic Mass: 205.934 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 57.700
• 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

References

1. Peng Liu, Shangbo Zhou, Zhijun Zhou, Zihan Jin, Wei Chen, Zihang Li, Jiaqi Xu, Feng Chen, You Li, Yingfei Wen, Shiqiang Zhang, Changhua Zhang, Binbin Li, Jing Zhao, Hengxing Chen.  (2025)  Discovery and antitumor evaluation of a mitochondria-targeting ruthenium complex for effective cancer therapy.  CANCER LETTERS,      [PMID:40021041] [10.1016/j.canlet.2025.217582]