2-Aminobenzaldehyde - ≥98% , CAS No.529-23-7

CAS: 529-23-7 Cat. No.: A100686 Formule: C₇H₇NO Poids moléculaire: 121.14 Numéro CE: 208-454-3

GRADE & PURITY ≥98%

Synonyms

AI3-52264 | Z3034936011 | 2-Aminobenzaldehyde, >=98% | ghl.PD_Mitscher_leg0.1278 | EINECS 208-454-3 | Benzaldehyde, 2-amino- | 2-Formylaniline | EG769PG2AX | m-Amino benzaldehyde | 2-ABA | InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 | Ortho aminobenzald

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Reactant for: Preparation of quinoline derivatives as antiviral agents Preparation of electroluminescent materials for OLEDs Friedlander-type synthesis Preparation of 2-tosylaminophenyl cyclopropylmethanols for gold-catalyzed cyclopropyl carbinol rearrangement Benzyl C-H bond amination of arylmethylamines catalyzed by hydroxy-TEMPO Silver-catalyzed aniline mediated cascade hydroamination/cycloaddition reactions.

Specifications

Synonymes

AI3-52264 | Z3034936011 | 2-Aminobenzaldehyde, >=98% | ghl.PD_Mitscher_leg0.1278 | EINECS 208-454-3 | Benzaldehyde, 2-amino- | 2-Formylaniline | EG769PG2AX | m-Amino benzaldehyde | 2-ABA | InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 | Ortho aminobenzald

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488184112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184112
• Sourires canoniques: C1=CC=C(C(=C1)C=O)N
• IUPAC Name: 2-aminobenzaldehyde
• InChIKey: FXWFZIRWWNPPOV-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
• Isomères SMILES: C1=CC=C(C(=C1)C=O)N
• WGK Allemagne: 3
• Poids moléculaire: 121.14
• Reaxy-Rn: 507154
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507154&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 Aniline and substituted anilines Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aniline or substituted anilines - Aryl-aldehyde - Vinylogous amide - Hydrocarbon derivative - Organopnictogen compound - Aldehyde - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol (25 mg/ml).
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point de fusion (°C): 39-40°C
• Poids moléculaire: 121.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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

Références

1. Lihua Zhu, Huan Zhang, Huaze Zhu, Huan Fu, Anna Kroner, Zhiqing Yang, Hengqiang Ye, Bing Hui Chen, Rafael Luque.  (2022)  Controlling nanostructures of PtNiCo/C trimetallic nanocatalysts and relationship of structure-catalytic performance for selective hydrogenation of nitroarenes.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2022.08.012]

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 529-23-7, the molecular formula is C7H7NO, and the molecular weight is 121.14 g/mol. InChIKey FXWFZIRWWNPPOV-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.