2-Hydroxy-3-nitrobenzaldehyde - ≥98% , CAS No.5274-70-4

CAS: 5274-70-4 Cat. No.: H122467 Formule: C₇H₅NO₄ Poids moléculaire: 167.12 Beilstein Registry Number: 8(4)232 Numéro CE: 226-098-7

GRADE & PURITY ≥98%

Synonyms

BDBM111030 | DTXSID8063753 | SY026438 | A829231 | Benzaldehyde, 2-hydroxy-3-nitro- | HN7XR99LDF | BP-13096 | 3-NITROSALICYLAIDEHYDE | BBL023464 | NSC38026 | NSC-38026 | NSC-18469 | 3-Nitrosalicylaldehyde | SCHEMBL311131 | 2-Hydroxy-3-nitrobenzaldehyde | 3

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

2-Hydroxy-3-nitrobenzaldehyde can be extracted from the leaves of Actephila merrilliana. Its molecule is planar. On reaction with dapsone, it affords a colorless solution.

application：

2-Hydroxy-3-nitrobenzaldehyde may be used in the synthesis of 5-acetyl-4-aryl-6-methyl-1,2,3,4-tetrahydro pyrimidine.

Specifications

Synonymes

BDBM111030 | DTXSID8063753 | SY026438 | A829231 | Benzaldehyde, 2-hydroxy-3-nitro- | HN7XR99LDF | BP-13096 | 3-NITROSALICYLAIDEHYDE | BBL023464 | NSC38026 | NSC-38026 | NSC-18469 | 3-Nitrosalicylaldehyde | SCHEMBL311131 | 2-Hydroxy-3-nitrobenzaldehyde | 3

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488185646

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185646

Sourires canoniques

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

IUPAC Name

2-hydroxy-3-nitrobenzaldehyde

InChIKey

NUGOTBXFVWXVTE-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

167.12

Beilstein

8(4)232

Reaxy-Rn

2047883

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047883&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 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 - 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point de fusion (°C): 105-109°C
• Poids moléculaire: 167.120 g/mol
• XLogP3: 1.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 5274-70-4, the molecular formula is C7H5NO4, and the molecular weight is 167.12 g/mol. InChIKey NUGOTBXFVWXVTE-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.