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

CAS: 34841-06-0 Cat. No.: B133393 Summenformel: C₈H₇BrO₂ Molekulargewicht: 215.05 Beilstein Registry Number: 8(2)74 EG-Nummer: 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

Room temperature,Argon charged

Shipped In

Normal

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488187137

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187137

Kanonisches Lächeln

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

Isomere SMILES

COC1=C(C=C(C=C1)C=O)Br

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Siedepunkt (°C): 162°C
• Schmelzpunkt (°C): 49-53°C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34841-06-0, the molecular formula is C8H7BrO2, and the molecular weight is 215.05 g/mol. InChIKey QMPNFQLVIGPNEI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.