5-Bromo-4-ethylpyrimidine - ≥98% , CAS No.951884-36-9

CAS: 951884-36-9 Cat. No.: B188597 Fórmula: C₆H₇BrN₂ Peso molecular: 187.04

GRADE & PURITY ≥98%

Synonyms

A845220 | J-517088 | SCHEMBL8176256 | MFCD09800935 | PS-3474 | 5-Bromo-4-ethylpyrimidine | 5-bromo-4-ethyl-pyrimidine | SY271974 | F13814 | MYEMCVSVGGPJRP-UHFFFAOYSA-N | BNB88436 | SB55499 | DTXSID70650036 | EN300-1273378 | AKOS006344735

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

A845220 | J-517088 | SCHEMBL8176256 | MFCD09800935 | PS-3474 | 5-Bromo-4-ethylpyrimidine | 5-bromo-4-ethyl-pyrimidine | SY271974 | F13814 | MYEMCVSVGGPJRP-UHFFFAOYSA-N | BNB88436 | SB55499 | DTXSID70650036 | EN300-1273378 | AKOS006344735

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC1=NC=NC=C1Br
• IUPAC Name: 5-bromo-4-ethylpyrimidine
• InChIKey: MYEMCVSVGGPJRP-UHFFFAOYSA-N
• INCHI: 1S/C6H7BrN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
• Isómeros SMILES: CCC1=NC=NC=C1Br
• Peso molecular: 187.04
• Reaxy-Rn: 30470764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30470764&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 187.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 185.979 Da
• Monoisotopic Mass: 185.979 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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

Preguntas frecuentes

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 room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 951884-36-9, the molecular formula is C6H7BrN2, and the molecular weight is 187.04 g/mol. InChIKey MYEMCVSVGGPJRP-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.