4-(2-Bromoethoxy)benzaldehyde - ≥95% , CAS No.52191-15-8

CAS: 52191-15-8 Cat. No.: B170770 Summenformel: C₉H₉BrO₂ Molekulargewicht: 229.07 EG-Nummer: 632-652-2

GRADE & PURITY ≥95%

Synonyms

STK947381 | DTXSID90294436 | 3G-938 | AMY25066 | SCHEMBL210942 | AC1815 | NSC96627 | NSC-96627 | SY038051 | 4-(2-bromoethoxy) benzaldehyde | A7663 | XFHTVCMRNSBQCF-UHFFFAOYSA-N | 4-(2-bromoethoxy)benzaldehyde | AKOS000102159 | 4-(2-BROMOETHOXY)BENZENECARB

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

STK947381 | DTXSID90294436 | 3G-938 | AMY25066 | SCHEMBL210942 | AC1815 | NSC96627 | NSC-96627 | SY038051 | 4-(2-bromoethoxy) benzaldehyde | A7663 | XFHTVCMRNSBQCF-UHFFFAOYSA-N | 4-(2-bromoethoxy)benzaldehyde | AKOS000102159 | 4-(2-BROMOETHOXY)BENZENECARB

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528759638
• Kanonisches Lächeln: C1=CC(=CC=C1C=O)OCCBr
• IUPAC Name: 4-(2-bromoethoxy)benzaldehyde
• InChIKey: XFHTVCMRNSBQCF-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
• Isomere SMILES: C1=CC(=CC=C1C=O)OCCBr
• Molekulargewicht: 229.07
• Reaxy-Rn: 512405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=512405&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Aldehyde - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 229.070 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.979 Da
• Monoisotopic Mass: 227.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• 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

Referenzen

1. Shijie Tang, Yilin Lu, Qian Xu, Zhiping Chen, Ming Duan, Shenwen Fang.  (2024)  Preparation and flotation-flocculation performance evaluation of hydrophobic modified PEI for produced water treatment.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.114940]