2-Hydroxy-4-nitrobenzaldehyde - ≥98% , CAS No.2460-58-4

CAS: 2460-58-4 Cat. No.: H588385 Fórmula: C₇H₅NO₄ Peso molecular: 167.12 Número CE: 219-549-4

GRAU & PUREZA ≥98%

Synonyms

4-Nitrosalicylaldehyde|Benzaldehyde,2-hydroxy-4-nitro-|Salicylaldehyde, 4-nitro-|Benzaldehyde, 2-hydroxy-4-nitro-|Biformychlorazin|azidosodium|2-hydroxy-4-nitro benzaldehyde|Azide(1-)|2-hydroxy-4-nitrobenzaldehyde|2-Hydroxy-4-Nitro-Benzaldehyde|bis(8-methylnonyl) benzene-1,2-dicarboxylate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

4-Nitrosalicylaldehyde | Benzaldehyde,2-hydroxy-4-nitro- | Salicylaldehyde, 4-nitro- | Benzaldehyde, 2-hydroxy-4-nitro- | Biformychlorazin | azidosodium | 2-hydroxy-4-nitro benzaldehyde | Azide(1-) | 2-hydroxy-4-nitrobenzaldehyde | 2-Hydroxy-4-Nitro-Benzaldehyde | bis(8-methylnonyl) benzene-1,2-dicarboxylate

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528757548

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757548

Sorrisos canónicos

C1=CC(=C(C=C1[N+](=O)[O-])O)C=O

IUPAC Name

2-hydroxy-4-nitrobenzaldehyde

InChIKey

HHDPXULKSZZACU-UHFFFAOYSA-N

INCHI

1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)3-7(5)10/h1-4,10H

SMILES isoméricas

C1=CC(=C(C=C1[N+](=O)[O-])O)C=O

CAS alternativo

2460-58-4

Número NSC

82622

Termos de entrada MeSH

4-nitrosalicylaldehyde

Peso molecular

167.12

Reaxy-Rn

1103752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103752&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 Nitroaromatic compounds Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Nitrophenol - Hydroxybenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl-aldehyde - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 167.120 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.022 Da
• Monoisotopic Mass: 167.022 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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