2,5-Dichloro-4-methylpyrimidine - ≥98% , CAS No.1192064-63-3

CAS: 1192064-63-3 Cat. No.: D189987 Formula: C₅H₄Cl₂N₂ Peso molecolare: 163.01 Numero EC: 958-070-1

GRADE & PURITY ≥98%

Synonyms

SY104932 | J-507312 | SCHEMBL1188746 | AKOS015851154 | DTXSID60611914 | Pyrimidine, 2,5-dichloro-4-methyl- | 2,5-DICHLORO-4-METHYLPYRIMIDINE | 2,5-dichloro-4-methyl-pyrimidine | FT-0760932 | A853902 | 1192064-63-3 | SB57719 | MFCD13193656 | DS-11509 | NQQ

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SY104932 | J-507312 | SCHEMBL1188746 | AKOS015851154 | DTXSID60611914 | Pyrimidine, 2,5-dichloro-4-methyl- | 2,5-DICHLORO-4-METHYLPYRIMIDINE | 2,5-dichloro-4-methyl-pyrimidine | FT-0760932 | A853902 | 1192064-63-3 | SB57719 | MFCD13193656 | DS-11509 | NQQ

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC1=NC(=NC=C1Cl)Cl

IUPAC Name

2,5-dichloro-4-methylpyrimidine

InChIKey

NQQBBTQLATUFBF-UHFFFAOYSA-N

INCHI

1S/C5H4Cl2N2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3

Isomeri SMILES

CC1=NC(=NC=C1Cl)Cl

Peso molecolare

163.01

Reaxy-Rn

19662779

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19662779&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-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 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

Proprietà chimiche e fisiche

• Peso molecolare: 163.000 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.975 Da
• Monoisotopic Mass: 161.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.000
• 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 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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1192064-63-3, the molecular formula is C5H4Cl2N2, and the molecular weight is 163.01 g/mol. InChIKey NQQBBTQLATUFBF-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.