3,5-Dibromoanthranilaldehyde - ≥98%(HPLC) , CAS No.50910-55-9

CAS: 50910-55-9 Cat. No.: D154277 Formula: C₇H₅Br₂NO Peso molecolare: 278.93 Numero EC: 256-841-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

Z1269136164 | MFCD00671100 | AMY16465 | 3,5-DIBROMO-2-AMINOBENZALDEHYDE | Ambroxol EP Impurity E; 2-Amino-3,5-dibromobenzaldehyde | SY038949 | 2-Amino-3,5-dibromobenzaldehyde | 2-amino-3,5-dibromo-benzaldehyde | F12175 | 2-Amino-3,5-dibromobenzaldehyde, 9

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

2-Amino-3,5-dibromobenzaldehyde has been identified as one of the oxidation product of bromhexine by controlled potential electrolysis followed by HPLC-UV and GC-MS. It participates in the Friedl?nder condensation of C-β?glycosylic ketones to form 2-substituted quinoline derivatives.
2-Amino-3,5-dibromobenzaldehyde may be employed in the preparation of tetradentate Schiff base ligands, via condensation with aliphatic diamines. These ligands forms nickel (II) and oxovanadium(IV) complexes.

Specifications

Sinonimi

Z1269136164 | MFCD00671100 | AMY16465 | 3,5-DIBROMO-2-AMINOBENZALDEHYDE | Ambroxol EP Impurity E; 2-Amino-3,5-dibromobenzaldehyde | SY038949 | 2-Amino-3,5-dibromobenzaldehyde | 2-amino-3,5-dibromo-benzaldehyde | F12175 | 2-Amino-3,5-dibromobenzaldehyde, 9

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

504759877

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759877

Sorrisi canonici

C1=C(C=C(C(=C1C=O)N)Br)Br

IUPAC Name

2-amino-3,5-dibromobenzaldehyde

InChIKey

RCPAZWISSAVDEA-UHFFFAOYSA-N

INCHI

1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2

Isomeri SMILES

C1=C(C=C(C(=C1C=O)N)Br)Br

WGK Germania

3

Peso molecolare

278.93

Reaxy-Rn

3247660

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3247660&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: Benzaldehydes 2-bromoanilines Bromobenzenes Aryl bromides Vinylogous amides Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Halobenzene - Aryl-aldehyde - Aryl bromide - Aryl halide - Vinylogous amide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - 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

• Sensibilità: Air sensitive
• Punto di fusione (°C): 137 °C
• Peso molecolare: 278.930 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 278.872 Da
• Monoisotopic Mass: 276.874 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 50910-55-9, the molecular formula is C7H5Br2NO, and the molecular weight is 278.93 g/mol. InChIKey RCPAZWISSAVDEA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.