4-(4-Bromophenoxy)benzaldehyde - ≥97%(GC) , CAS No.69240-56-8

CAS: 69240-56-8 Cat. No.: B151929 Molecular Weight: 277.12 EC Number: 622-123-4

GRADE & PURITY ≥97%(GC)

Synonyms

4-(4-Bromophenoxy)benzaldehyde | 4-(4-Bromo-phenoxy)benzaldehyde | FT-0749086 | T71237 | WMDDJOBNAOVSLP-UHFFFAOYSA-N | AS-8717 | B4900 | MFCD08276811 | SCHEMBL260494 | SY052875 | 4-(4-Bromophenoxy)benzaldehyde, 97% | AKOS000260023 | 4-(4-bromophenoxy) ben

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(4-Bromophenoxy)benzaldehyde | 4-(4-Bromo-phenoxy)benzaldehyde | FT-0749086 | T71237 | WMDDJOBNAOVSLP-UHFFFAOYSA-N | AS-8717 | B4900 | MFCD08276811 | SCHEMBL260494 | SY052875 | 4-(4-Bromophenoxy)benzaldehyde, 97% | AKOS000260023 | 4-(4-bromophenoxy) ben

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488196759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196759
• Canonical Smiles: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Br
• IUPAC Name: 4-(4-bromophenoxy)benzaldehyde
• InChIKey: WMDDJOBNAOVSLP-UHFFFAOYSA-N
• INCHI: 1S/C13H9BrO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
• Isomeric SMILES: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Br
• WGK Germany: 3
• Molecular Weight: 277.12
• Reaxy-Rn: 4248787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4248787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Bromobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl halide - Ether - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo 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

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Air Sensitive
• Boil Point(°C): 189°C/2.5mmHg
• Melt Point(°C): 69-73°C
• Molecular Weight: 277.110 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.979 Da
• Monoisotopic Mass: 275.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 216.000
• 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