3,5-Dibromo-2-methoxybenzaldehyde - ≥97% , CAS No.61657-65-6

CAS: 61657-65-6 Cat. No.: D353134 Formula: C₈H₆Br₂O₂ Peso molecolare: 293.95 Numero EC: 991-343-3

QUALITÀ & PUREZZA ≥97%

Synonyms

DTXSID40363469 | 3,5-Dibromo-2-methoxybenzaldehyde, 97% | MFCD02093682 | Z55992887 | BBL009385 | InChI=1/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H | SCHEMBL1071145 | FT-0640771 | A833351 | F82642 | NJFNLMDSRHQQNR-UHFFFAOYSA-N | EN300-08964 | STK198

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DTXSID40363469 | 3,5-Dibromo-2-methoxybenzaldehyde, 97% | MFCD02093682 | Z55992887 | BBL009385 | InChI=1/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H | SCHEMBL1071145 | FT-0640771 | A833351 | F82642 | NJFNLMDSRHQQNR-UHFFFAOYSA-N | EN300-08964 | STK198

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488191860

Sorrisi canonici

COC1=C(C=C(C=C1Br)Br)C=O

IUPAC Name

3,5-dibromo-2-methoxybenzaldehyde

InChIKey

NJFNLMDSRHQQNR-UHFFFAOYSA-N

INCHI

1S/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3

Isomeri SMILES

COC1=C(C=C(C=C1Br)Br)C=O

Peso molecolare

293.95

Reaxy-Rn

3250322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3250322&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 93 -96° C
• Peso molecolare: 293.940 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.871 Da
• Monoisotopic Mass: 291.873 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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