5-Bromo-2-iodobenzaldehyde - ≥98% , CAS No.689291-89-2

CAS: 689291-89-2 Cat. No.: B186034 Molecular Weight: 310.9 EC Number: 863-562-3

GRADE & PURITY ≥98%

Synonyms

GS-4293 | SCHEMBL137546 | SY017686 | DTXSID30621000 | Benzaldehyde, 5-bromo-2-iodo- | MOELYMOGQIDKNW-UHFFFAOYSA-N | A9147 | AKOS015834753 | AM84053 | 5-BROMO-2-IODOBENZALDEHYDE | 5-bromo-2-iodo-benzaldehyde | CL8368 | EN300-198948 | MFCD07779026 | FT-0644

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

GS-4293 | SCHEMBL137546 | SY017686 | DTXSID30621000 | Benzaldehyde, 5-bromo-2-iodo- | MOELYMOGQIDKNW-UHFFFAOYSA-N | A9147 | AKOS015834753 | AM84053 | 5-BROMO-2-IODOBENZALDEHYDE | 5-bromo-2-iodo-benzaldehyde | CL8368 | EN300-198948 | MFCD07779026 | FT-0644

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200007
• Canonical Smiles: C1=CC(=C(C=C1Br)C=O)I
• IUPAC Name: 5-bromo-2-iodobenzaldehyde
• InChIKey: MOELYMOGQIDKNW-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
• Isomeric SMILES: C1=CC(=C(C=C1Br)C=O)I
• Molecular Weight: 310.9
• Reaxy-Rn: 14239407
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14239407&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Iodobenzenes Bromobenzenes Aryl iodides Aryl bromides Vinylogous halides Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Halobenzene - Aryl-aldehyde - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Vinylogous halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organobromide - Organoiodide - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 310.910 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 309.849 Da
• Monoisotopic Mass: 309.849 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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