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

CAS: 99070-23-2 Cat. No.: B469932 Formule: C₁₀H₁₁BrO₃ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488199034

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point d'éclair (°C): 66-70 °C
• Poids moléculaire: 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