2-Bromopyrimidine - ≥98% , CAS No.4595-60-2

CAS: 4595-60-2 Cat. No.: B120301 Molecular Weight: 158.98 Beilstein Registry Number: 605945 EC Number: 224-993-7

GRADE & PURITY ≥98%

Synonyms

EINECS 224-993-7 | AC-3205 | Ethylene glycol bis(2-cyanoethyl) ether | NSC88935 | NSC-88935 | SCHEMBL5162 | SY004970 | 2-Bromopyrimidine, 95% | MFCD00014601 | bromopyrimidine | PS-4262 | A826940 | SB57728 | AKOS002687669 | DTXSID9063532 | BCP23007 | Pyrim

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 224-993-7 | AC-3205 | Ethylene glycol bis(2-cyanoethyl) ether | NSC88935 | NSC-88935 | SCHEMBL5162 | SY004970 | 2-Bromopyrimidine, 95% | MFCD00014601 | bromopyrimidine | PS-4262 | A826940 | SB57728 | AKOS002687669 | DTXSID9063532 | BCP23007 | Pyrim

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755273
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755273
• Canonical Smiles: C1=CN=C(N=C1)Br
• IUPAC Name: 2-bromopyrimidine
• InChIKey: PGFIHORVILKHIA-UHFFFAOYSA-N
• INCHI: 1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H
• Isomeric SMILES: C1=CN=C(N=C1)Br
• WGK Germany: 3
• Molecular Weight: 158.98
• Beilstein: 605945
• Reaxy-Rn: 605945
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605945&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol；Miscible with water.
• Sensitivity: Air Sensitive,Heat Sensitive
• Boil Point(°C): 62-64°C/1.5mm
• Melt Point(°C): 53°C
• Molecular Weight: 158.980 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.948 Da
• Monoisotopic Mass: 157.948 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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

References

1. Liu Hongmei, Chang Hong, Lv Jia, Jiang Cong, Li Zhenxi, Wang Fei, Wang Hui, Wang Mingming, Liu Chongyi, Wang Xinyu, Shao Naimin, He Bingwei, Shen Wanwan, Zhang Qiang, Cheng Yiyun.  (2016)  Screening of efficient siRNA carriers in a library of surface-engineered dendrimers.  Scientific Reports,  6  (1): (1-11).  [PMID:27121799] [10.1038/srep25069]

2. Hui Wang, Haifeng Wei, Quan Huang, Hongmei Liu, Jingjing Hu, Yiyun Cheng, Jianru Xiao.  (2015)  Nucleobase-modified dendrimers as nonviral vectors for efficient and low cytotoxic gene delivery.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:26613860] [10.1016/j.colsurfb.2015.11.015]