5-Bromo-3-nitrosalicylaldehyde - ≥97%(GC) , CAS No.16634-88-1

CAS: 16634-88-1 Cat. No.: B132016 Fórmula: C₇H₄BrNO₄ Peso molecular: 246.02 Beilstein Registry Number: 8,57 Número EC: 625-753-8

GRADE & PURITY ≥97%(GC)

Synonyms

AE-641/02490009 | Salicylaldehyde, 5-bromo-3-nitro- | NINDS_000104 | Benzaldehyde,5-bromo-2-hydroxy-3-nitro- | STK922059 | SCHEMBL928630 | 3-Nitro-5-bromosalicylaldehyde | US8614253, .3-65 | Z274774388 | FT-0683810 | MFCD00130110 | 5-Bromo-3-nitrosalicyla

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AE-641/02490009 | Salicylaldehyde, 5-bromo-3-nitro- | NINDS_000104 | Benzaldehyde,5-bromo-2-hydroxy-3-nitro- | STK922059 | SCHEMBL928630 | 3-Nitro-5-bromosalicylaldehyde | US8614253, .3-65 | Z274774388 | FT-0683810 | MFCD00130110 | 5-Bromo-3-nitrosalicyla

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488190769

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190769

Sonrisas canónicas

C1=C(C=C(C(=C1C=O)O)[N+](=O)[O-])Br

IUPAC Name

5-bromo-2-hydroxy-3-nitrobenzaldehyde

InChIKey

YEYPSUQQZNDKDE-UHFFFAOYSA-N

INCHI

1S/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H

Isómeros SMILES

C1=C(C=C(C(=C1C=O)O)[N+](=O)[O-])Br

WGK Alemania

3

Peso molecular

246.02

Beilstein

8,57

Reaxy-Rn

1966049

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitrophenols Hydroxybenzaldehydes P-bromophenols Nitroaromatic compounds Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Nitrophenol - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 4-halophenol - 4-bromophenol - Nitroaromatic compound - Bromobenzene - Halobenzene - Phenol - Aryl-aldehyde - Aryl halide - Aryl bromide - Vinylogous acid - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Aldehyde - Organic nitrogen compound - Organohalogen compound - Organobromide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 125-127°C
• Peso molecular: 246.010 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.932 Da
• Monoisotopic Mass: 244.932 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 217.000
• 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

Preguntas frecuentes

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 16634-88-1, the molecular formula is C7H4BrNO4, and the molecular weight is 246.02 g/mol. InChIKey YEYPSUQQZNDKDE-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.