4-Hydroxyisophthalaldehyde - ≥98% , CAS No.3328-70-9

CAS: 3328-70-9 Cat. No.: H157418 Formule: C₈H₆O₃ Poids moléculaire: 150.13 Beilstein Registry Number: 8287 Numéro CE: 630-907-2

GRADE & PURITY ≥98%

Synonyms

5-Formylsalicylaldehyde | MFCD00003334 | SCHEMBL1527062 | 3-formyl-4-hydroxybenzaldehyde | F0310 | YSZC171 | 4-Hydroxyisophthalaldehyde # | 4-hydroxy-1,3-benzenedicarboxaldehyde | FEUATHOQKVGPEK-UHFFFAOYSA- | AA-516/30054020 | T72316 | 2,4-Diformylphenol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

5-Formylsalicylaldehyde | MFCD00003334 | SCHEMBL1527062 | 3-formyl-4-hydroxybenzaldehyde | F0310 | YSZC171 | 4-Hydroxyisophthalaldehyde # | 4-hydroxy-1,3-benzenedicarboxaldehyde | FEUATHOQKVGPEK-UHFFFAOYSA- | AA-516/30054020 | T72316 | 2,4-Diformylphenol

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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: 508809745
• Sourires canoniques: C1=CC(=C(C=C1C=O)C=O)O
• IUPAC Name: 4-hydroxybenzene-1,3-dicarbaldehyde
• InChIKey: FEUATHOQKVGPEK-UHFFFAOYSA-N
• INCHI: 1S/C8H6O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-5,11H
• Isomères SMILES: C1=CC(=C(C=C1C=O)C=O)O
• Poids moléculaire: 150.13
• Beilstein: 8287
• Reaxy-Rn: 2042430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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 Methanol
• Sensibilité: Air Sensitive
• Point de fusion (°C): 109 °C
• Poids moléculaire: 150.130 g/mol
• XLogP3: 1.300
• 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: 155.000
• 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. Mengwen Yi, Xiangjun Liu, Jing Liu, Shengnan Li, Dandan Li, Xiangru Zhang, Nan Zhang, Yongbiao Wei, Dihua Shangguan.  (2022)  A mitochondria-targeted near-infrared fluorescent probe for detection and imaging of HSO3- in living cells.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:35504101] [10.1016/j.saa.2022.121305]

2. Qian Song, Gui-Qin Fu, Xiao-Fan Xu, Jing-Jing Chao, Jiang-Hong Liu, Guo-Jiang Mao, Yongfei Li, Juan Ouyang, Liufang Hu, Chun-Yan Li.  (2025)  Novel near-infrared solid-state probe for monitoring carbon monoxide in cholestatic liver injury and toxic hepatitis.  Journal of Materials Chemistry B,      [PMID:40813348] [10.1039/D5TB01448D]