5-Bromo-4-methylpyrimidine - ≥97% , CAS No.1439-09-4

CAS: 1439-09-4 Cat. No.: B181501 Summenformel: C₅H₅BrN₂ Molekulargewicht: 173 EG-Nummer: 802-844-2

GRADE & PURITY ≥97%

Synonyms

5-Bromo-4-methylpyrimidine | 5-Bromo-4-methyl-pyrimidine | 5-Bromo-4-methylpyrimidine, AldrichCPR | AKOS006304747 | FT-0649177 | BB 0256872 | MFCD10000597 | Pyrimidine, 5-bromo-4-methyl- (7CI,8CI,9CI) | ALRPHTZYJPXPGN-UHFFFAOYSA-N | DTXSID30499201 | BCP19

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-Bromo-4-methylpyrimidine | 5-Bromo-4-methyl-pyrimidine | 5-Bromo-4-methylpyrimidine, AldrichCPR | AKOS006304747 | FT-0649177 | BB 0256872 | MFCD10000597 | Pyrimidine, 5-bromo-4-methyl- (7CI,8CI,9CI) | ALRPHTZYJPXPGN-UHFFFAOYSA-N | DTXSID30499201 | BCP19

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488198113

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198113

Kanonisches Lächeln

CC1=NC=NC=C1Br

IUPAC Name

5-bromo-4-methylpyrimidine

InChIKey

ALRPHTZYJPXPGN-UHFFFAOYSA-N

INCHI

1S/C5H5BrN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3

Isomere SMILES

CC1=NC=NC=C1Br

Molekulargewicht

173

Reaxy-Rn

507657

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507657&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 173.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.964 Da
• Monoisotopic Mass: 171.964 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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

Häufig gestellte Fragen

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 1439-09-4, the molecular formula is C5H5BrN2, and the molecular weight is 173 g/mol. InChIKey ALRPHTZYJPXPGN-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.