2-Chloro-4-(methoxymethyl)pyrimidine - ≥97% , CAS No.1289387-30-9

CAS: 1289387-30-9 Cat. No.: C190467 Formule: C₆H₇ClN₂O Poids moléculaire: 158.59 Numéro CE: 995-975-0

GRADE & PURITY ≥97%

Synonyms

AKOS015940240 | 1289387-30-9 | FT-0708249 | 2-Chloro-4-methoxymethyl-pyrimidine | SB57585 | Behenylacrylate | 2-chloro-4-(methoxymethyl)pyrimidine | A888934 | SY114300 | DS-14007 | Pyrimidine, 2-chloro-4-(methoxymethyl)- | 2-chloro-4-(dimethoxymethyl)pyra

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS015940240 | 1289387-30-9 | FT-0708249 | 2-Chloro-4-methoxymethyl-pyrimidine | SB57585 | Behenylacrylate | 2-chloro-4-(methoxymethyl)pyrimidine | A888934 | SY114300 | DS-14007 | Pyrimidine, 2-chloro-4-(methoxymethyl)- | 2-chloro-4-(dimethoxymethyl)pyra

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COCC1=NC(=NC=C1)Cl
• IUPAC Name: 2-chloro-4-(methoxymethyl)pyrimidine
• InChIKey: LKOWHMGUHBHEDI-UHFFFAOYSA-N
• INCHI: 1S/C6H7ClN2O/c1-10-4-5-2-3-8-6(7)9-5/h2-3H,4H2,1H3
• Isomères SMILES: COCC1=NC(=NC=C1)Cl
• Poids moléculaire: 158.59
• Reaxy-Rn: 38353869
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38353869&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 Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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

Propriétés chimiques et physiques

• Poids moléculaire: 158.580 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.025 Da
• Monoisotopic Mass: 158.025 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% 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 1289387-30-9, the molecular formula is C6H7ClN2O, and the molecular weight is 158.59 g/mol. InChIKey LKOWHMGUHBHEDI-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.