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

CAS: 4595-60-2 Cat. No.: B120301 Summenformel: C₄H₃BrN₂ Molekulargewicht: 158.98 Beilstein Registry Number: 605945 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755273

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755273

Kanonisches Lächeln

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

Isomere SMILES

C1=CN=C(N=C1)Br

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Ebene5 Halopyrimidines
          • Ebene6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol；Miscible with water.
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Siedepunkt (°C): 62-64°C/1.5mm
• Schmelzpunkt (°C): 53°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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 ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 4595-60-2, the molecular formula is C4H3BrN2, and the molecular weight is 158.98 g/mol. InChIKey PGFIHORVILKHIA-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.