3-Bromo-4-methoxybenzaldehyde - ≥98% , CAS No.34841-06-0

CAS: 34841-06-0 Cat. No.: B133393 Molecular Weight: 215.05 Beilstein Registry Number: 8(2)74 EC Number: 252-241-8

GRADE & PURITY ≥98%

Synonyms

UNII-6RGS4ZD7JB | Benzaldehyde, 3-bromo-4-methoxy- | EN300-16201 | MFCD00016599 | AKOS000103403 | 3-bromoanisaldehyde | 3-bromo-anisaldehyde | 6RGS4ZD7JB | 3-bromo-para-anisaldehyde | GS-6083 | 3-Bromo-4 methoxybenzaldehyde | p-Anisaldehyde, 3-bromo- | SY

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Bromo-4-methoxybenzaldehyde is formed by the solvent-free bromination of 4-methoxybenzaldehyde using 1,3-di-n-butylimidazolium tribromide, as a brominating reagent.
3-Bromo-4-methoxybenzaldehyde may be used in the following studies: . Asymmetric synthesis of a novel β-hydroxy-α-amino acid derivative, via Mukaiyama aldol reaction. . Synthesis of 2-(3-bromo-4-methoxyphenyl)-5-fluorobenzothiazole. . Preparation of 5-[(Z)-2-(3-bromo-4-methoxyphenyl)vinyl]-1,2-3-trimethoxybenzene. . Total synthesis of engelhardione. . Starting reagent for the synthesis of (2E)-3-(3-bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.

Specifications

Synonyms

UNII-6RGS4ZD7JB | Benzaldehyde, 3-bromo-4-methoxy- | EN300-16201 | MFCD00016599 | AKOS000103403 | 3-bromoanisaldehyde | 3-bromo-anisaldehyde | 6RGS4ZD7JB | 3-bromo-para-anisaldehyde | GS-6083 | 3-Bromo-4 methoxybenzaldehyde | p-Anisaldehyde, 3-bromo- | SY

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187137
• Canonical Smiles: COC1=C(C=C(C=C1)C=O)Br
• IUPAC Name: 3-bromo-4-methoxybenzaldehyde
• InChIKey: QMPNFQLVIGPNEI-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
• Isomeric SMILES: COC1=C(C=C(C=C1)C=O)Br
• WGK Germany: 3
• Molecular Weight: 215.05
• Beilstein: 8(2)74
• Reaxy-Rn: 1636939
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636939&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Boil Point(°C): 162°C
• Melt Point(°C): 49-53°C
• Molecular Weight: 215.040 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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