4-Bromo-2-methoxypyridine - ≥97% , CAS No.100367-39-3

CAS: 100367-39-3 Cat. No.: B178692 Fórmula: C₆H₆BrNO Peso molecular: 188 Número EC: 640-169-3

GRADE & PURITY ≥97%

Synonyms

IJO | YFTGMMXMLPTTAY-UHFFFAOYSA-N | STL555036 | AM20061840 | BBL101240 | FT-0647915 | EN300-87235 | SCHEMBL132442 | AC-7007 | 4-Bromo-2-methoxypyridine | 4-bromo-2-methoxy-pyridine | Pyridine, 4-bromo-2-methoxy- | SY008980 | PS-3477 | 2-methoxy-4-bromopyr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

IJO | YFTGMMXMLPTTAY-UHFFFAOYSA-N | STL555036 | AM20061840 | BBL101240 | FT-0647915 | EN300-87235 | SCHEMBL132442 | AC-7007 | 4-Bromo-2-methoxypyridine | 4-bromo-2-methoxy-pyridine | Pyridine, 4-bromo-2-methoxy- | SY008980 | PS-3477 | 2-methoxy-4-bromopyr

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504767567

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767567

Sonrisas canónicas

COC1=NC=CC(=C1)Br

IUPAC Name

4-bromo-2-methoxypyridine

InChIKey

YFTGMMXMLPTTAY-UHFFFAOYSA-N

INCHI

1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3

Isómeros SMILES

COC1=NC=CC(=C1)Br

Peso molecular

188

Reaxy-Rn

115199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - 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 alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

• Solubilidad: Slightly soluble in water.
• Punto de ebullición (°C): 87°/15mm
• Punto de fusión (°C): 24-27°C
• Peso molecular: 188.020 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• 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