Methyl 3-bromopicolinate - ≥96% , CAS No.53636-56-9

CAS: 53636-56-9 Cat. No.: M185065 Fórmula: C₇H₆BrNO₂ Peso molecular: 216 Número EC: 814-519-2

GRADE & PURITY ≥96%

Synonyms

DTXSID50510922 | Methyl 3-bromopicolinate, AldrichCPR | SY005700 | cis-9-octadecenenitrile | methyl 3-bromo-pyridine-2-carboxylate | Methyl 3-bromopyridine-2-carboxylate | Methyl 3-Bromopicolinate | A7803 | PB13499 | 3-BROMOPYRIDINE-2-CARBOXYLICACIDMETHYL

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID50510922 | Methyl 3-bromopicolinate, AldrichCPR | SY005700 | cis-9-octadecenenitrile | methyl 3-bromo-pyridine-2-carboxylate | Methyl 3-bromopyridine-2-carboxylate | Methyl 3-Bromopicolinate | A7803 | PB13499 | 3-BROMOPYRIDINE-2-CARBOXYLICACIDMETHYL

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488198264

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198264

Sonrisas canónicas

COC(=O)C1=C(C=CC=N1)Br

IUPAC Name

methyl 3-bromopyridine-2-carboxylate

InChIKey

GSTYLUGZSCVBTJ-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3

Isómeros SMILES

COC(=O)C1=C(C=CC=N1)Br

Peso molecular

216

Reaxy-Rn

472354

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472354&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aryl bromide - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

• Sensibilidad: light sensitive
• Peso molecular: 216.030 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.958 Da
• Monoisotopic Mass: 214.958 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 53636-56-9, the molecular formula is C7H6BrNO2, and the molecular weight is 216 g/mol. InChIKey GSTYLUGZSCVBTJ-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.