4-(2-Bromoethoxy)-3-methoxybenzaldehyde - ≥97% , CAS No.99070-23-2

CAS: 99070-23-2 Cat. No.: B469932 Fórmula: C₁₀H₁₁BrO₃ Peso molecular: 259.1

GRADE & PURITY ≥97%

Synonyms

4-(2-Bromomethoxy)-3-methoxybenzaldehyd | 4-(2-bromo-ethoxy)-3-methoxy-benzaldehyde | 4-(2-Bromoethoxy)-3-methoxybenzaldehyde | 4-(2-Bromoethoxy)-3-methoxybenzaldehyde, 97% | FT-0728542 | AKOS000103475 | DTXSID90582087 | SCHEMBL2650011

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(2-Bromomethoxy)-3-methoxybenzaldehyd | 4-(2-bromo-ethoxy)-3-methoxy-benzaldehyde | 4-(2-Bromoethoxy)-3-methoxybenzaldehyde | 4-(2-Bromoethoxy)-3-methoxybenzaldehyde, 97% | FT-0728542 | AKOS000103475 | DTXSID90582087 | SCHEMBL2650011

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488199034

Sorrisos canónicos

COC1=C(C=CC(=C1)C=O)OCCBr

IUPAC Name

4-(2-bromoethoxy)-3-methoxybenzaldehyde

InChIKey

VFSWCDPTQADMSM-UHFFFAOYSA-N

INCHI

1S/C10H11BrO3/c1-13-10-6-8(7-12)2-3-9(10)14-5-4-11/h2-3,6-7H,4-5H2,1H3

SMILES isoméricas

COC1=C(C=CC(=C1)C=O)OCCBr

WGK Alemanha

3

Peso molecular

259.1

Reaxy-Rn

3291712

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3291712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Ether - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Sensibilidade: Air sensitive
• Ponto de inflamação (°C): 66-70 °C
• Peso molecular: 259.100 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 257.989 Da
• Monoisotopic Mass: 257.989 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 175.000
• 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