2-Bromo-5-methylpyrimidine - ≥98% , CAS No.150010-20-1

CAS: 150010-20-1 Cat. No.: B181640 Formula: C₅H₅BrN₂ Peso molecolare: 173.01 Numero EC: 875-441-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1867413 | MFCD09753737 | Pyrimidine, 2-bromo-5-methyl- | AMY22913 | AKOS012511002 | 2-bromo-5-methyl-pyrimidine | KYCGEJNZMHUBMX-UHFFFAOYSA-N | SB57821 | RB3278 | DS-11077 | SY031347 | FT-0645837 | DTXSID50671906 | EN300-310

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL1867413 | MFCD09753737 | Pyrimidine, 2-bromo-5-methyl- | AMY22913 | AKOS012511002 | 2-bromo-5-methyl-pyrimidine | KYCGEJNZMHUBMX-UHFFFAOYSA-N | SB57821 | RB3278 | DS-11077 | SY031347 | FT-0645837 | DTXSID50671906 | EN300-310

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

528757167

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757167

Sorrisi canonici

CC1=CN=C(N=C1)Br

IUPAC Name

2-bromo-5-methylpyrimidine

InChIKey

KYCGEJNZMHUBMX-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC1=CN=C(N=C1)Br

Peso molecolare

173.01

Reaxy-Rn

21248671

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21248671&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 bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - 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: 173.010 g/mol
• XLogP3: 1.600
• 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: 68.800
• 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