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

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504767567

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Ponto de ebulição (°C): 87°/15mm
• Ponto de fusão (°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