3-Bromo-5-ethoxypyridine - ≥97%(GC) , CAS No.17117-17-8

CAS: 17117-17-8 Cat. No.: B152240 Fórmula: C₇H₈BrNO Peso molecular: 202.05 Número CE: 810-985-6

GRADE & PURITY ≥97%(GC)

Synonyms

5-bromo-3-ethoxypyridine | 5-Bromo-3-ethoxy-pyridine | A811294 | F1967-2389 | AMY11493 | B5000 | DTXSID20485198 | MFCD00234116 | PYRIDINE, 3-BROMO-5-ETHOXY- | AC-907/25004452 | AKOS013525846 | AB05134 | EN300-119573 | FT-0659285 | SCHEMBL188568 | 5-Ethoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-bromo-3-ethoxypyridine | 5-Bromo-3-ethoxy-pyridine | A811294 | F1967-2389 | AMY11493 | B5000 | DTXSID20485198 | MFCD00234116 | PYRIDINE, 3-BROMO-5-ETHOXY- | AC-907/25004452 | AKOS013525846 | AB05134 | EN300-119573 | FT-0659285 | SCHEMBL188568 | 5-Ethoxy

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

508808976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808976

Sorrisos canónicos

CCOC1=CC(=CN=C1)Br

IUPAC Name

3-bromo-5-ethoxypyridine

InChIKey

FYUMRYNAZSTXJV-UHFFFAOYSA-N

INCHI

1S/C7H8BrNO/c1-2-10-7-3-6(8)4-9-5-7/h3-5H,2H2,1H3

SMILES isoméricas

CCOC1=CC(=CN=C1)Br

Peso molecular

202.05

Reaxy-Rn

115894

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115894&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

• Índice de refração: 1.56
• Ponto de inflamação (°C): 93 °C
• Ponto de ebulição (°C): 240°C
• Ponto de fusão (°C): 9°C
• Peso molecular: 202.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.979 Da
• Monoisotopic Mass: 200.979 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.600
• 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