4-Bromo-2,5-dimethoxybenzaldehyde - ≥96% , CAS No.31558-41-5

CAS: 31558-41-5 Cat. No.: B183626 Formula: C₉H₉BrO₃ Peso molecolare: 245.1 Numero EC: 681-660-2

GRADE & PURITY ≥96%

Synonyms

MFCD00156964 | 4-bromo-2,5-dimethoxy benzaldehyde | SY026029 | EN300-197408 | Cambridge id 6238031 | DTXSID50354646 | SR-01000231182-1 | 4-bromo-2,5-dimethoxybenzaldehyde, AldrichCPR | BIM-0047552.P001 | Benzaldehyde, 4-bromo-2,5-dimethoxy- | AKOS00035149

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

MFCD00156964 | 4-bromo-2,5-dimethoxy benzaldehyde | SY026029 | EN300-197408 | Cambridge id 6238031 | DTXSID50354646 | SR-01000231182-1 | 4-bromo-2,5-dimethoxybenzaldehyde, AldrichCPR | BIM-0047552.P001 | Benzaldehyde, 4-bromo-2,5-dimethoxy- | AKOS00035149

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504760141

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760141

Sorrisi canonici

COC1=CC(=C(C=C1C=O)OC)Br

IUPAC Name

4-bromo-2,5-dimethoxybenzaldehyde

InChIKey

BIFWGDWGCZLCHF-UHFFFAOYSA-N

INCHI

1S/C9H9BrO3/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-5H,1-2H3

Isomeri SMILES

COC1=CC(=C(C=C1C=O)OC)Br

Peso molecolare

245.1

Reaxy-Rn

1948290

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzaldehyde - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Peso molecolare: 245.070 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.974 Da
• Monoisotopic Mass: 243.974 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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