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

CAS: 16634-88-1 Cat. No.: B132016 Formula: C₇H₄BrNO₄ Peso molecolare: 246.02 Beilstein Registry Number: 8,57 Numero 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

Sinonimi

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

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 488190769
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190769
• Sorrisi canonici: 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
• Isomeri SMILES: C1=C(C=C(C(=C1C=O)O)[N+](=O)[O-])Br
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di fusione (°C): 125-127°C
• Peso molecolare: 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

Riferimenti

1. Yan Bao, Lu Gao, Pei Han, Feng Liu, Junbing Zhou, Wenbo Zhang.  (2024)  Multi-color photochromic waterborne polyurethane with high color fastness from hydroxyl-functionalized trichromatic spiropyrans.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2024.112577]

Domande frequenti

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.