3,5-Dibromo-4-hydroxybenzaldehyde - ≥98% , CAS No.2973-77-5

CAS: 2973-77-5 Cat. No.: D117854 Summenformel: C₇H₄Br₂O₂ Molekulargewicht: 279.91 EG-Nummer: 221-017-1

GRADE & PURITY ≥98%

Synonyms

DTXSID20183889 | NSC 72944 | AC-13720 | AG-205/06024052 | Z57176718 | NSC72944 | NSC-72944 | BBL023240 | EINECS 221-017-1 | W-106975 | Benzaldehyde, 3,5-dibromo-4-hydroxy- | InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11 | D0189 | MFCD00016980 | s10

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID20183889 | NSC 72944 | AC-13720 | AG-205/06024052 | Z57176718 | NSC72944 | NSC-72944 | BBL023240 | EINECS 221-017-1 | W-106975 | Benzaldehyde, 3,5-dibromo-4-hydroxy- | InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11 | D0189 | MFCD00016980 | s10

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182437

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182437

Kanonisches Lächeln

C1=C(C=C(C(=C1Br)O)Br)C=O

IUPAC Name

3,5-dibromo-4-hydroxybenzaldehyde

InChIKey

SXRHGLQCOLNZPT-UHFFFAOYSA-N

INCHI

1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H

Isomere SMILES

C1=C(C=C(C(=C1Br)O)Br)C=O

WGK Deutschland

3

Molekulargewicht

279.91

Reaxy-Rn

1948512

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948512&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - Phenol - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 184°C
• Molekulargewicht: 279.910 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.856 Da
• Monoisotopic Mass: 277.858 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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