2,4-Diiodopyrimidine - ≥95% , CAS No.262353-34-4

CAS: 262353-34-4 Cat. No.: D183262 Formula: C₄H₂I₂N₂ Molecular Weight: 331.9 EC Number: 989-380-5

GRADE & PURITY ≥95%

Synonyms

AKOS015920092 | Pyrimidine, 2,4-diiodo- | EN300-2009633 | DS-0250 | SCHEMBL433889 | A877299 | SY031024 | DTXSID60459252 | MFCD09743716 | FT-0740296 | Pyrimidine,2,4-diiodo- | OWKYCEXJWCVTMS-UHFFFAOYSA-N | 2,4-diiodopyrimidine | AMY31720 | SB58405 | diiodo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS015920092 | Pyrimidine, 2,4-diiodo- | EN300-2009633 | DS-0250 | SCHEMBL433889 | A877299 | SY031024 | DTXSID60459252 | MFCD09743716 | FT-0740296 | Pyrimidine,2,4-diiodo- | OWKYCEXJWCVTMS-UHFFFAOYSA-N | 2,4-diiodopyrimidine | AMY31720 | SB58405 | diiodo

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

Canonical Smiles

C1=CN=C(N=C1I)I

IUPAC Name

2,4-diiodopyrimidine

InChIKey

OWKYCEXJWCVTMS-UHFFFAOYSA-N

INCHI

1S/C4H2I2N2/c5-3-1-2-7-4(6)8-3/h1-2H

Isomeric SMILES

C1=CN=C(N=C1I)I

Molecular Weight

331.9

Reaxy-Rn

8478207

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8478207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - 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 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen 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
• Molecular Weight: 331.880 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 331.831 Da
• Monoisotopic Mass: 331.831 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 262353-34-4, the molecular formula is C4H2I2N2, and the molecular weight is 331.9 g/mol. InChIKey OWKYCEXJWCVTMS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.