4,5-Dichloropyrimidine - ≥98% , CAS No.6554-61-6

CAS: 6554-61-6 Cat. No.: D194423 Formula: C₄H₂Cl₂N₂ Peso molecolare: 148.98 Numero EC: 828-658-1

GRADE & PURITY ≥98%

Synonyms

Pyrimidine,4,5-dichloro- | DL-ALPHA-HYDROXYCAPROICACID,95 | SY024241 | DTXSID00468383 | GS-5838 | MFCD09743880 | PYRIMIDINE, 4,5-DICHLORO- | A8887 | FT-0649227 | SCHEMBL691236 | AMY11524 | NHTURKUJYDHMIQ-UHFFFAOYSA-N | 4,5-dichloropyrimidine | EN300-98422

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

Pyrimidine,4,5-dichloro- | DL-ALPHA-HYDROXYCAPROICACID,95 | SY024241 | DTXSID00468383 | GS-5838 | MFCD09743880 | PYRIMIDINE, 4,5-DICHLORO- | A8887 | FT-0649227 | SCHEMBL691236 | AMY11524 | NHTURKUJYDHMIQ-UHFFFAOYSA-N | 4,5-dichloropyrimidine | EN300-98422

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504766538
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766538
• Sorrisi canonici: C1=C(C(=NC=N1)Cl)Cl
• IUPAC Name: 4,5-dichloropyrimidine
• InChIKey: NHTURKUJYDHMIQ-UHFFFAOYSA-N
• INCHI: 1S/C4H2Cl2N2/c5-3-1-7-2-8-4(3)6/h1-2H
• Isomeri SMILES: C1=C(C(=NC=N1)Cl)Cl
• Peso molecolare: 148.98
• Reaxy-Rn: 112654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112654&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 148.980 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.96 Da
• Monoisotopic Mass: 147.96 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

Domande frequenti

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

The CAS Number is 6554-61-6, the molecular formula is C4H2Cl2N2, and the molecular weight is 148.98 g/mol. InChIKey NHTURKUJYDHMIQ-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.

What is the purity of this product?

This product is supplied at ≥98% 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.