Phthalaldehydic Acid - ≥98% , CAS No.119-67-5

CAS: 119-67-5 Cat. No.: P160758 Summenformel: C₈H₆O₃ Molekulargewicht: 150.13 Beilstein Registry Number: 742381 EG-Nummer: 204-342-3 PubChem CID: 8406

QUALITÄT & REINHEIT ≥98%

Synonyms

2-Carboxybenzaldehyde | OAEGSO7G3Y | SCHEMBL78873 | 2-Formylbenzoic acid | 2-formyl-benzoic acid | F2191-0166 | NSC5045 | NSC-5045 | FT-0611650 | Q27102472 | 2-Carboxybenzaldehyde, 97% | Benzoic acid, formyl- | EN300-20473 | FT-0657534 | HY-Y1771 | STK801

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

2-Carboxybenzaldehyde is a metabolite of the biodegradation of luoranthene using two pure bacterial strains, Pasteurella sp. IFA (B-2) and Mycobacterium sp. PYR-1 (AM). It has been used to synthesize a series of N-substituted isoindolinones by reductive C-N coupling and intramolecular amidation with amines.

Spezifikationen

Synonyme

2-Carboxybenzaldehyde | OAEGSO7G3Y | SCHEMBL78873 | 2-Formylbenzoic acid | 2-formyl-benzoic acid | F2191-0166 | NSC5045 | NSC-5045 | FT-0611650 | Q27102472 | 2-Carboxybenzaldehyde, 97% | Benzoic acid, formyl- | EN300-20473 | FT-0657534 | HY-Y1771 | STK801

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488180780

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180780

Kanonisches Lächeln

C1=CC=C(C(=C1)C=O)C(=O)O

IUPAC Name

2-formylbenzoic acid

InChIKey

DYNFCHNNOHNJFG-UHFFFAOYSA-N

INCHI

1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)

Isomere SMILES

C1=CC=C(C(=C1)C=O)C(=O)O

WGK Deutschland

2

RTECS

TH7015000

PubChem CID

8406

Molekulargewicht

150.13

Beilstein

742381

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Benzaldehydes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Benzaldehyde - Aryl-aldehyde - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• External Descriptors: benzaldehydes - aldehydic acid

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol：almost transparency;Soluble in water.
• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 97 - 100°C
• Molekulargewicht: 150.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 150.032 Da
• Monoisotopic Mass: 150.032 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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