4-Bromo-2-methoxybenzaldehyde - ≥97% , CAS No.43192-33-2

CAS: 43192-33-2 Cat. No.: B124176 Summenformel: C₈H₇BrO₂ Molekulargewicht: 215.04 EG-Nummer: 627-704-6

GRADE & PURITY ≥97%

Synonyms

SCHEMBL11173 | DTXSID60453472 | 4-Bromo-2-methoxybenzenecarboxaldehyde | AB44855 | 2-Methoxy-4-broMobenzaldehyde | 4-bromo-2-methoxybezaldehyde | 4-Bromo-2-methoxybenzaldehyde, 97% | AC-28696 | DS-1132 | MFCD08276823 | W-202756 | YMXQYZABFWVXEK-UHFFFAOYSA

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

4-Bromo-2-methoxybenzaldehyde is used in the building block, synthesis of a nonacid degradable linker for solid-phase synthesis.

Specifications

Synonyme

SCHEMBL11173 | DTXSID60453472 | 4-Bromo-2-methoxybenzenecarboxaldehyde | AB44855 | 2-Methoxy-4-broMobenzaldehyde | 4-bromo-2-methoxybezaldehyde | 4-Bromo-2-methoxybenzaldehyde, 97% | AC-28696 | DS-1132 | MFCD08276823 | W-202756 | YMXQYZABFWVXEK-UHFFFAOYSA

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488197108
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197108
• Kanonisches Lächeln: COC1=C(C=CC(=C1)Br)C=O
• IUPAC Name: 4-bromo-2-methoxybenzaldehyde
• InChIKey: YMXQYZABFWVXEK-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
• Isomere SMILES: COC1=C(C=CC(=C1)Br)C=O
• WGK Deutschland: 2
• Molekulargewicht: 215.04
• Reaxy-Rn: 3089105
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3089105&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

• Löslichkeit: Soluble in water.
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 67-71°C
• Molekulargewicht: 215.040 g/mol
• XLogP3: 2.300
• 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

Referenzen

1. Lingfeng Xu, Ying Zou, Mei Zeng, Siqi Duan, Kui Wu, Runlin Han, Limin Liu.  (2021)  Noninvasive Viscosity Detection in Beverages with an Aggregation-Induced Emission-Based Molecular Rotor.  ACS Food Science & Technology,      [PMID:] [10.1021/acsfoodscitech.1c00302]